UCSF

ZINC34223922

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 13 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) -0.20 -0.05 -44.61 3 5 1 57 188.251 2
Mid Mid (pH 6-8) -0.20 -2.42 -10.03 2 5 0 56 187.243 2

Activity (Go SEA)

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