UCSF

ZINC42355661

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 15 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) 1.95 5.79 -37.73 2 3 1 34 210.345 4
Hi High (pH 8-9.5) 1.95 4.56 -5.61 1 3 0 30 209.337 4

Activity (Go SEA)

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