UCSF

ZINC38282003

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 10 No

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) -0.12 1.38 -7.46 1 3 0 53 138.17 0
Mid Mid (pH 6-8) -0.12 2.52 -48.99 2 3 1 57 139.178 0

Activity (Go SEA)

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