UCSF

ZINC43448490

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) -0.30 3.7 -39.36 2 4 1 37 214.333 5
Hi High (pH 8-9.5) -0.30 1.01 -8.38 1 4 0 36 213.325 5
Lo Low (pH 4.5-6) -0.30 2.17 -44.52 2 4 1 40 214.333 5
Lo Low (pH 4.5-6) -0.30 4.82 -112.52 3 4 2 41 215.341 5

Activity (Go SEA)

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