UCSF

ZINC34571612

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 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) 1.45 1.23 -4.98 6 3 0 78 173.219 0
Mid Mid (pH 6-8) 1.45 1.07 -24.95 7 3 0 80 174.227 0

Activity (Go SEA)

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