UCSF

ZINC69090784

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 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) 0.62 8.86 -59.45 3 4 1 61 269.409 6
Hi High (pH 8-9.5) 0.62 8.11 -29.4 2 4 0 60 268.401 6
Hi High (pH 8-9.5) 0.62 8.86 -34.86 2 4 0 57 268.401 6

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

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