UCSF

ZINC44725416

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 15 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) -0.83 3.44 -91.16 4 4 2 52 211.309 2
Hi High (pH 8-9.5) -0.83 3.14 -30.1 3 4 1 51 210.301 2
Hi High (pH 8-9.5) -0.83 0.72 -8.42 2 4 0 50 209.293 2

Activity (Go SEA)

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