UCSF

ZINC19934831

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 17 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) 2.41 7.1 -44.29 1 3 1 31 295.204 2
Mid Mid (pH 6-8) 2.41 4.62 -5.4 0 3 0 30 294.196 2

Activity (Go SEA)

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