UCSF

ZINC22113228

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 13 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) 2.38 7.37 -24.94 1 1 1 14 174.267 0
Mid Mid (pH 6-8) 2.38 7.02 -6.04 0 1 0 13 173.259 0

Activity (Go SEA)

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