UCSF

ZINC42769416

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 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) 3.69 10.52 -84.75 3 3 2 24 293.499 9
Hi High (pH 8-9.5) 3.69 8.25 -34.6 2 3 1 23 292.491 9

Activity (Go SEA)

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