UCSF

ZINC57381092

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2011 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) 4.37 8.57 -29.57 3 2 1 30 235.395 7
Hi High (pH 8-9.5) 4.37 8.96 -1.97 2 2 0 29 234.387 7

Activity (Go SEA)

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