UCSF

ZINC51480839

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 21 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) 3.86 8.73 -5.3 1 3 0 28 287.382 7
Mid Mid (pH 6-8) 3.86 10.1 -36.46 2 3 1 33 288.39 7
Lo Low (pH 4.5-6) 3.86 9.75 -112.38 3 3 2 34 289.398 7
Lo Low (pH 4.5-6) 3.86 8.39 -30 2 3 1 29 288.39 7

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

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