UCSF

ZINC26476062

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 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) -0.57 0.89 -85.14 4 4 2 45 215.341 4
Hi High (pH 8-9.5) -0.57 -0.52 -31.23 3 4 1 40 214.333 4
Lo Low (pH 4.5-6) -0.57 1.84 -95.95 4 4 2 41 215.341 4
Lo Low (pH 4.5-6) -0.57 3.24 -193.78 5 4 3 46 216.349 4

Activity (Go SEA)

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