UCSF

ZINC26961161

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 14 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) 0.99 0.34 -21.5 2 4 0 66 231.038 0
Mid Mid (pH 6-8) 1.90 -0.59 -54.06 1 4 -1 69 230.03 0

Activity (Go SEA)

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