UCSF

ZINC43248834

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) 1.72 1.25 -41.52 4 3 1 51 271.45 7
Hi High (pH 8-9.5) 1.72 2.59 -30.51 4 3 1 51 271.45 7
Hi High (pH 8-9.5) 1.72 0.92 -2.9 3 3 0 49 270.442 7
Lo Low (pH 4.5-6) 1.72 2.92 -106.65 5 3 2 52 272.458 7

Activity (Go SEA)

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