UCSF

ZINC49168907

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2010 21 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) 3.63 8.17 -6.79 0 2 0 16 294.423 3
Mid Mid (pH 6-8) 3.63 10.68 -39.08 1 2 1 17 295.431 3

Activity (Go SEA)

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