UCSF

ZINC34099182

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2009 19 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) 1.85 6.87 -13.97 2 5 0 59 258.325 5
Mid Mid (pH 6-8) 1.85 7.39 -40.91 3 5 1 60 259.333 5

Activity (Go SEA)

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