UCSF

ZINC40403151

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 22 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) 3.50 9.56 -57.83 0 5 -1 67 303.382 8
Mid Mid (pH 6-8) 3.50 10 -51.18 1 5 0 68 304.39 8

Activity (Go SEA)

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