UCSF

ZINC20130226

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 30 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) 6.31 13.98 -50.01 0 5 -1 68 440.976 5
Mid Mid (pH 6-8) 6.31 12.02 -48.02 1 5 0 70 441.984 5
Mid Mid (pH 6-8) 6.31 13.46 -56.75 1 5 0 70 441.984 5
Lo Low (pH 4.5-6) 6.31 14.29 -35.43 1 5 0 70 441.984 5

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

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