UCSF

ZINC62977769

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 2.89 6.87 -97.41 4 3 2 35 329.941 4
Hi High (pH 8-9.5) 2.89 4.72 -44.72 3 3 1 34 328.933 4
Hi High (pH 8-9.5) 2.89 6.56 -34.06 3 3 1 34 328.933 4
Hi High (pH 8-9.5) 2.89 4.51 -2.22 2 3 0 32 327.925 4

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

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