UCSF

ZINC41684643

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 17 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 2.3 -10.83 1 6 0 76 264.347 7
Hi High (pH 8-9.5) 0.59 2.02 -44.6 0 6 -1 78 263.339 7

Activity (Go SEA)

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