UCSF

ZINC34566573

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) 0.40 7.01 -47.75 3 2 1 45 226.299 4
Mid Mid (pH 6-8) 0.40 6.68 -7.69 2 2 0 43 225.291 4

Activity (Go SEA)

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