UCSF

ZINC20255251

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 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) 3.72 12.58 -112.8 2 2 2 9 296.458 3
Hi High (pH 8-9.5) 3.72 7.9 -3.27 0 2 0 6 294.442 3
Mid Mid (pH 6-8) 3.72 10.22 -35.6 1 2 1 8 295.45 3

Activity (Go SEA)

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