UCSF

ZINC24671060

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2009 18 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) 1.27 2.57 -37.72 3 5 1 63 253.322 7
Hi High (pH 8-9.5) 1.27 0.29 -13.01 2 5 0 62 252.314 7

Activity (Go SEA)

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