UCSF

ZINC39375617

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 13 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) 0.78 1.76 -110.72 6 2 2 55 221.131 3
Mid Mid (pH 6-8) 0.78 1.37 -36.3 5 2 1 54 220.123 3

Activity (Go SEA)

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