UCSF

ZINC41685163

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) 0.83 3.46 -51.01 2 6 1 82 242.299 8
Hi High (pH 8-9.5) 0.83 2.09 -8.8 1 6 0 77 241.291 8

Activity (Go SEA)

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