UCSF

ZINC43401155

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) -1.10 0.44 -34.69 5 5 1 88 209.273 4
Mid Mid (pH 6-8) -1.10 1.42 -8.25 4 5 0 86 208.265 4
Lo Low (pH 4.5-6) -1.10 0.88 -87.46 6 5 2 89 210.281 4

Activity (Go SEA)

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