UCSF

ZINC08792266

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2007 38 No

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) 5.52 1.03 -27.94 1 8 0 99 505.53 7
Lo Low (pH 4.5-6) 5.52 1.2 -57.38 2 8 1 100 506.538 7

Activity (Go SEA)

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