UCSF

ZINC01530408

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 11 Yes

Popular Name: sym-homospermidine sym-homospermidine

Find On: PubMed — Wikipedia — Google

CAS Number: 4427-76-3

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) -1.56 -6.5 -167.66 8 3 3 71 162.301 8 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links DHYS_ARATH; DHYS_BRANA; DHYS_DIACA; DHYS_MUSAC; DHYS_SENVE; DHYS_SOLLC; DHYS_TOBAC; HSS1_SENVE; HSS1_SENVU; HSS2_SENVE; HSS_BLAVI; HSS_RHILO; NSPC_CAMJ8; SPEE_THET8 ChEBI
UniProt Database Links HSS1_SENVE; HSS1_SENVU; HSS2_SENVE; HSS_BLAVI; HSS_RHILO; NSPC_CAMJ8 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80193-7-O L1210 (Lymphocytic Leukemia Cells) (cluster #7 Of 12), Other Other 3000 0.70 Functional ≤ 10μM
Z80712-6-O T47D (Breast Carcinoma Cells) (cluster #6 Of 7), Other Other 2700 0.71 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80193 Z80193 L1210 (Lymphocytic Leukemia Cells) 3000 0.70 Functional ≤ 10μM
Z80712 Z80712 T47D (Breast Carcinoma Cells) 2700 0.71 Functional ≤ 10μM

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