UCSF

ZINC17996094

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 22 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) 4.05 11.84 -27.24 1 4 1 41 292.362 5
Hi High (pH 8-9.5) 4.05 9.68 -12.35 0 4 0 39 291.354 5
Hi High (pH 8-9.5) 4.05 11.44 -10.38 0 4 0 39 291.354 5

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

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