UCSF

ZINC40975214

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 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) 1.56 2.48 -48.56 2 6 -1 103 303.29 0
Mid Mid (pH 6-8) 1.56 1.72 -14.96 3 6 0 100 304.298 0

Activity (Go SEA)

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