UCSF

ZINC43700129

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 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) -2.99 3.33 -45.04 3 5 0 80 216.281 5
Hi High (pH 8-9.5) -2.99 1.34 -43.3 2 5 -1 79 215.273 5
Mid Mid (pH 6-8) -2.99 1.76 -32.87 3 5 0 80 216.281 5
Mid Mid (pH 6-8) -2.99 3.64 -81.91 4 5 1 81 217.289 5

Activity (Go SEA)

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