UCSF

ZINC69947912

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 19 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) -0.50 7.41 -94.76 2 6 1 69 270.353 5
Hi High (pH 8-9.5) -0.50 2.84 -48.65 0 6 -1 67 268.337 5
Mid Mid (pH 6-8) -0.50 5.2 -68.18 1 6 0 68 269.345 5

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

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