UCSF

ZINC38219197

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2010 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) 1.90 5.83 -7.88 0 5 0 46 263.341 3
Mid Mid (pH 6-8) 1.90 6.29 -37.09 1 5 1 47 264.349 3

Activity (Go SEA)

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