UCSF

ZINC37374582

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 15 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) -0.44 5.37 -29.86 1 4 0 48 214.309 4
Hi High (pH 8-9.5) -0.44 3.23 -46.88 0 4 -1 47 213.301 4
Hi High (pH 8-9.5) -0.44 5.45 -53.77 1 4 0 48 214.309 4
Lo Low (pH 4.5-6) -0.44 7.58 -81.97 2 4 1 49 215.317 4

Activity (Go SEA)

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