UCSF

ZINC41685505

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 0.59 6.89 -49.15 2 5 1 63 259.37 11
Hi High (pH 8-9.5) 0.59 5.54 -10.6 1 5 0 59 258.362 11

Activity (Go SEA)

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