UCSF

ZINC49036491

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 20 No

Popular Name: 1,3-dibutyl-5-(diaminomethylene)hexahydropyrimidine-2,4,6-trione 1,3-dibutyl-5-(diaminomethylene)…

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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) 0.58 4.7 -8.46 4 7 0 113 282.344 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTH1R-1-E Parathyroid Hormone Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 3200 0.38 Functional ≤ 10μM
Z50587-4-O Homo Sapiens (cluster #4 Of 9), Other Other 1500 0.41 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50587 Z50587 Homo Sapiens 1500 0.41 Functional ≤ 10μM
PTH1R_HUMAN Q03431 Parathyroid Hormone Receptor, Human 3200 0.38 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Class B/2 (Secretin family receptors)
G alpha (s) signalling events

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

No pre-computed analogs available. Try a structural similarity search.