UCSF

ZINC42744423

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 1.91 5.56 -101.81 4 3 2 35 245.455 9
Hi High (pH 8-9.5) 1.91 6.63 -100.64 4 3 2 35 245.455 9
Hi High (pH 8-9.5) 1.91 3.72 -42.46 3 3 1 34 244.447 9
Lo Low (pH 4.5-6) 1.91 7.37 -227.02 5 3 3 37 246.463 9

Activity (Go SEA)

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