UCSF

ZINC52860051

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 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) 1.26 5.46 -28.3 4 4 1 68 275.763 4
Mid Mid (pH 6-8) 1.26 6.71 -3.62 3 4 0 66 274.755 4
Lo Low (pH 4.5-6) 1.26 6.35 -94.24 5 4 2 69 276.771 4

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

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