UCSF

ZINC51396962

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 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) 0.56 4.62 -44.54 3 4 1 57 229.307 4
Hi High (pH 8-9.5) 0.56 4.19 -29.33 3 4 1 56 229.307 4
Hi High (pH 8-9.5) 0.56 4.22 -7.73 2 4 0 55 228.299 4
Lo Low (pH 4.5-6) 0.56 4.58 -107.98 4 4 2 58 230.315 4

Activity (Go SEA)

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