UCSF

ZINC41685586

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 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) -0.04 5.02 -47.6 3 7 1 92 302.395 11
Mid Mid (pH 6-8) -0.04 3.66 -15.31 2 7 0 88 301.387 11

Activity (Go SEA)

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