UCSF

ZINC69951374

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 24 No

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) 0.12 2.82 -52.29 4 9 1 113 337.404 7
Hi High (pH 8-9.5) 0.31 0.29 -53.31 2 9 -1 115 335.388 7
Mid Mid (pH 6-8) 0.12 1.85 -17.69 3 9 0 108 336.396 7

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

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