UCSF

ZINC48998144

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 31 No

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) 0.06 2 -148.69 5 13 -2 204 450.348 7
Mid Mid (pH 6-8) 0.06 0.85 -55.04 6 13 -1 201 451.356 7
Mid Mid (pH 6-8) 0.06 2.47 -138.94 6 13 -1 205 451.356 7
Lo Low (pH 4.5-6) 0.06 1.31 -61.8 7 13 0 202 452.364 7

Activity (Go SEA)

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