UCSF

ZINC42431982

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 16 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) 1.84 3.25 -47.89 4 3 1 57 233.316 2
Mid Mid (pH 6-8) 1.84 2.93 -8.97 3 3 0 55 232.308 2

Activity (Go SEA)

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