UCSF

ZINC17654192

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2008 37 No

Popular Name: PAF C-18 PAF C-18

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CAS Number: 74389-69-8

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.90 20.99 -51.6 0 8 0 94 551.746 28 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links A1HA_LOXIN; CHD1_HUMAN; CHD1_MOUSE; DISG_ORNMO; HEPA_HCMVA; HEPA_HCMVM; LEB_MACLB; LIS1A_DANRE; LIS1B_DANRE; LIS1_BOVIN; LIS1_DROME; LIS1_FELCA; LIS1_HUMAN; LIS1_MACFA; LIS1_MOUSE; LIS1_PANTR; LIS1_PIG; LIS1_PONAB; LIS1_RAT; LPP60_HUMAN; LPP60_MOUSE; LPP6 ChEBI
UniProt Database Links DISG_ORNMO; LIS1A_DANRE; LIS1B_DANRE; LIS1_BOVIN; LIS1_FELCA; LIS1_HUMAN; LIS1_MACFA; LIS1_MOUSE; LIS1_PANTR; LIS1_PIG; LIS1_PONAB; LIS1_RAT; NCEH1_BOVIN; NCEH1_HUMAN; NCEH1_MOUSE; NCEH1_PONAB; NCEH1_RAT; PA1B2_BOVIN; PA1B2_CHICK; PA1B2_DROME; PA1B2_HUMAN ChEBI
Reactome Database Links REACT_15291; REACT_18369; REACT_22263; REACT_22436 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50592-2-O Oryctolagus Cuniculus (cluster #2 Of 8), Other Other 0 0.00 Functional ≤ 10μM
Z50592-2-O Oryctolagus Cuniculus (cluster #2 Of 8), Other Other 19 0.29 Functional ≤ 10μM
Z50597-4-O Rattus Norvegicus (cluster #4 Of 12), Other Other 16 0.29 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50592 Z50592 Oryctolagus Cuniculus 0.1 0.38 Functional ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 16 0.29 Functional ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description Species
Class A/1 (Rhodopsin-like receptors)
G alpha (q) signalling events

Analogs ( Draw Identity 99% 90% 80% 70% )