UCSF

ZINC57671300

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 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) 5.08 8.86 -13.09 2 2 0 16 235.395 7
Hi High (pH 8-9.5) 5.08 8.76 -2.3 1 2 0 15 234.387 7

Activity (Go SEA)

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