UCSF

ZINC45662188

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 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) 1.59 5.1 -45.81 3 4 1 51 256.395 6
Lo Low (pH 4.5-6) 1.59 5.02 -92.28 4 4 2 52 257.403 6

Activity (Go SEA)

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