UCSF

ZINC69239770

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 20 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) 2.50 8.49 -42.35 4 4 1 55 271.388 6
Hi High (pH 8-9.5) 2.50 6.29 -6.74 3 4 0 54 270.38 6
Lo Low (pH 4.5-6) 2.50 8.95 -92.51 5 4 2 57 272.396 6

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

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