UCSF

ZINC02376266

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 21 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) 1.95 0.2 -54.11 2 4 1 47 285.367 8
Lo Low (pH 4.5-6) 1.95 0.32 -116.62 3 4 2 49 286.375 8

Activity (Go SEA)

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