UCSF

ZINC43982038

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 2.48 5.92 -86.32 3 3 2 24 245.455 9
Hi High (pH 8-9.5) 2.48 3.95 -34.96 2 3 1 23 244.447 9
Lo Low (pH 4.5-6) 2.48 8.38 -194.37 4 3 3 25 246.463 9

Activity (Go SEA)

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