UCSF

ZINC45620424

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 16 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) 1.69 3.33 -28.93 2 3 1 28 229.388 5
Hi High (pH 8-9.5) 1.69 3.45 -32.67 2 3 1 28 229.388 5
Hi High (pH 8-9.5) 1.69 1.2 -2.88 1 3 0 27 228.38 5
Lo Low (pH 4.5-6) 1.69 5.63 -106 3 3 2 29 230.396 5

Activity (Go SEA)

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