UCSF

ZINC43252334

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) 3.23 5.29 -44.68 3 2 1 31 273.853 4
Hi High (pH 8-9.5) 3.23 6.58 -33.98 3 2 1 30 273.853 4
Hi High (pH 8-9.5) 3.23 4.85 -1.12 2 2 0 29 272.845 4
Lo Low (pH 4.5-6) 3.23 6.91 -126.78 4 2 2 32 274.861 4

Activity (Go SEA)

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