UCSF

ZINC39291716

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 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) 1.08 5.35 -15.54 1 4 0 47 229.283 2
Mid Mid (pH 6-8) 1.08 5.79 -35.14 2 4 1 48 230.291 2

Activity (Go SEA)

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