UCSF

ZINC43262390

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) 2.05 2.17 -60.63 4 4 1 60 335.291 7
Hi High (pH 8-9.5) 2.05 1.92 -8.51 3 4 0 58 334.283 7
Hi High (pH 8-9.5) 2.05 3.94 -31.34 4 4 1 60 335.291 7
Lo Low (pH 4.5-6) 2.05 3.67 -118.53 5 4 2 61 336.299 7

Activity (Go SEA)

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