UCSF

ZINC04579304

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2005 12 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) 1.22 1.15 -38.78 1 4 -1 64 161.14 0
Mid Mid (pH 6-8) 1.22 2.39 -10.39 2 4 0 65 162.148 0
Mid Mid (pH 6-8) 1.22 1.96 -38.79 1 4 -1 64 161.14 0
Mid Mid (pH 6-8) 1.22 1.59 -8.45 2 4 0 65 162.148 0

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

No pre-computed analogs available. Try a structural similarity search.