UCSF

ZINC34585803

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 15 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) 2.97 5.81 -6.87 2 2 0 39 196.253 2
Mid Mid (pH 6-8) 2.97 6.15 -30.87 3 2 1 40 197.261 2

Activity (Go SEA)

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