UCSF

ZINC38916257

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2010 12 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) -0.52 1.21 -46.55 3 4 1 63 176.236 8
Hi High (pH 8-9.5) -0.52 -0.14 -7.1 2 4 0 59 175.228 8

Activity (Go SEA)

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