UCSF

ZINC51398111

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 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) 1.96 6.48 -46.29 3 3 1 44 246.309 4
Hi High (pH 8-9.5) 1.96 6.08 -5.77 2 3 0 42 245.301 4
Lo Low (pH 4.5-6) 1.96 6.44 -110.13 4 3 2 45 247.317 4
Lo Low (pH 4.5-6) 1.96 6.05 -29.82 3 3 1 43 246.309 4

Activity (Go SEA)

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