UCSF

ZINC42820214

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 13 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) 0.77 4.37 -43.53 2 3 1 50 183.275 4
Hi High (pH 8-9.5) 0.77 3.25 -9.44 1 3 0 45 182.267 4

Activity (Go SEA)

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