UCSF

ZINC38867217

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2010 15 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) -0.06 7.24 -98.56 3 5 2 62 213.281 8
Mid Mid (pH 6-8) -0.06 5.89 -35.67 2 5 1 57 212.273 8
Mid Mid (pH 6-8) -0.06 6.72 -53.86 2 5 1 61 212.273 8
Mid Mid (pH 6-8) -0.06 5.38 -11.78 1 5 0 56 211.265 8

Activity (Go SEA)

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