UCSF

ZINC34526797

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 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) 3.24 7.88 -23.1 1 2 1 17 223.299 1
Mid Mid (pH 6-8) 3.24 7.5 -11.44 0 2 0 16 222.291 1

Activity (Go SEA)

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