UCSF

ZINC41720355

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 19 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) 3.08 8.46 -79.84 3 3 2 31 259.397 7
Hi High (pH 8-9.5) 3.08 8.02 -43.3 2 3 1 29 258.389 7

Activity (Go SEA)

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