UCSF

ZINC36732061

Substance Information

In ZINC since Heavy atoms Benign functionality
November 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) -0.61 -0.58 -44.25 4 4 1 60 186.279 6
Mid Mid (pH 6-8) -0.61 0.99 -34.81 4 4 1 60 186.279 6

Activity (Go SEA)

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