UCSF

ZINC20718488

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 20 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) 0.74 1.31 -10.04 2 6 0 82 268.276 0
Ref Reference (pH 7) 0.55 3.91 -9.9 2 6 0 78 268.276 0
Mid Mid (pH 6-8) 0.55 3.91 -10.39 2 6 0 78 268.276 0
Mid Mid (pH 6-8) 0.74 1.29 -11.82 2 6 0 82 268.276 0

Activity (Go SEA)

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