UCSF

ZINC40639248

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 32 Yes

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) 5.84 14.24 -43.65 0 7 -1 83 428.564 10
Lo Low (pH 4.5-6) 5.84 14.33 -12.47 1 7 0 85 429.572 10

Activity (Go SEA)

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