UCSF

ZINC41680051

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 16 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) 0.71 4.45 -90.47 4 4 2 50 229.368 6
Mid Mid (pH 6-8) 0.89 2.82 -38 3 4 1 56 228.36 6

Activity (Go SEA)

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