UCSF

ZINC69485076

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 24 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) 3.20 9.48 -14.87 1 7 0 89 339.742 2
Mid Mid (pH 6-8) 3.10 8.63 -55.69 0 7 -1 92 338.734 3

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

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