UCSF

ZINC43252529

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) 2.82 7.24 -37.74 3 2 1 30 301.888 5
Mid Mid (pH 6-8) 2.82 7.54 -119.54 4 2 2 32 302.896 5
Mid Mid (pH 6-8) 2.82 5.15 -46.45 3 2 1 31 301.888 5

Activity (Go SEA)

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