UCSF

ZINC15937405

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 35 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) 5.28 14.88 -10.88 1 6 0 63 473.548 9
Lo Low (pH 4.5-6) 5.28 14.57 -42.41 2 6 1 65 474.556 8
Lo Low (pH 4.5-6) 5.28 15.7 -39.59 2 6 1 65 474.556 9

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

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