UCSF

ZINC62944387

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 21 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) 2.69 7.13 -45.02 3 3 1 44 285.411 4
Hi High (pH 8-9.5) 2.69 8.33 -28.42 3 3 1 44 285.411 4
Lo Low (pH 4.5-6) 2.69 8.76 -124.37 4 3 2 45 286.419 4

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

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