UCSF

ZINC52883609

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 20 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) 3.02 4.98 -43.31 3 3 1 40 275.416 3
Hi High (pH 8-9.5) 3.02 5.46 -3.24 2 3 0 38 274.408 3
Lo Low (pH 4.5-6) 3.02 6.76 -121.6 4 3 2 41 276.424 3
Lo Low (pH 4.5-6) 3.02 6.54 -31.81 3 3 1 40 275.416 3

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

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