UCSF

ZINC66141468

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 14 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) 1.98 3.72 -27.68 3 3 1 50 189.238 1
Mid Mid (pH 6-8) 1.98 3.27 -10.13 2 3 0 49 188.23 1

Activity (Go SEA)

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