UCSF

ZINC20275073

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 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) 5.94 16.05 -10.56 3 8 0 93 428.496 9
Lo Low (pH 4.5-6) 5.94 16.28 -24.95 4 8 1 94 429.504 9

Activity (Go SEA)

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