UCSF

ZINC54918094

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 17 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) 0.83 2.25 -40.67 2 4 1 42 256.395 6
Hi High (pH 8-9.5) 0.83 0.89 -6.32 1 4 0 37 255.387 6
Lo Low (pH 4.5-6) 0.83 3.16 -37.63 2 4 1 39 256.395 6
Lo Low (pH 4.5-6) 0.83 4.52 -116.37 3 4 2 43 257.403 6

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

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