UCSF

ZINC43258508

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 2.34 3.33 -46.35 3 3 1 40 320.276 4
Hi High (pH 8-9.5) 2.34 3.03 -2.57 2 3 0 38 319.268 4
Lo Low (pH 4.5-6) 2.34 5.11 -119.41 4 3 2 41 321.284 4

Activity (Go SEA)

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