UCSF

ZINC69946662

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 29 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) 1.99 6.91 -24.25 1 7 0 82 412.515 3
Mid Mid (pH 6-8) 1.99 6.52 -42.68 0 7 -1 84 411.507 3
Lo Low (pH 4.5-6) 1.99 8.49 -60.22 2 7 1 83 413.523 3
Lo Low (pH 4.5-6) 1.99 8.09 -36.23 1 7 0 85 412.515 3

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

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