UCSF

ZINC43242216

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) 3.54 7.07 -41.77 3 2 1 31 281.489 5
Hi High (pH 8-9.5) 3.54 8.6 -32.78 3 2 1 30 281.489 5
Hi High (pH 8-9.5) 3.54 7.49 -1.52 2 2 0 29 280.481 5
Lo Low (pH 4.5-6) 3.54 8.9 -114.38 4 2 2 32 282.497 5

Activity (Go SEA)

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