UCSF

ZINC36853652

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 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) -0.38 0.29 -12.09 2 6 0 85 228.248 5
Mid Mid (pH 6-8) -0.38 1.34 -47.12 3 6 1 89 229.256 5
Lo Low (pH 4.5-6) -0.38 1.33 -43.32 3 6 1 89 229.256 5
Lo Low (pH 4.5-6) -0.20 -1.19 -37.89 2 6 0 95 228.248 5

Activity (Go SEA)

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