UCSF

ZINC39255908

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 12 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) 2.44 4.08 -2.94 1 1 0 12 181.666 0
Mid Mid (pH 6-8) 2.44 5.44 -39.04 2 1 1 17 182.674 0

Activity (Go SEA)

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