UCSF

ZINC34822195

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 16 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) 2.12 6.71 -80.92 3 3 2 30 224.348 6
Hi High (pH 8-9.5) 2.12 4.22 -38.53 2 3 1 29 223.34 6

Activity (Go SEA)

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