UCSF

ZINC51398134

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) 2.68 6.4 -41.55 3 3 1 44 234.367 4
Hi High (pH 8-9.5) 2.68 5.99 -4.37 2 3 0 42 233.359 4
Mid Mid (pH 6-8) 2.68 6.31 -24.46 3 3 1 43 234.367 4
Lo Low (pH 4.5-6) 2.68 6.71 -105.61 4 3 2 45 235.375 4

Activity (Go SEA)

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