UCSF

ZINC54821966

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 18 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) 2.58 6.99 -36.03 3 3 1 45 246.378 3
Hi High (pH 8-9.5) 2.58 5.92 -4.83 2 3 0 41 245.37 3
Lo Low (pH 4.5-6) 2.58 7.42 -107.32 4 3 2 47 247.386 3

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

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