UCSF

ZINC14223850

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 28 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) 4.31 4.95 -43.21 1 6 -1 94 439.897 6
Hi High (pH 8-9.5) 4.31 4.98 -93.89 0 6 -2 96 438.889 6
Mid Mid (pH 6-8) 4.31 4.86 -40.07 1 6 -1 94 439.897 6
Mid Mid (pH 6-8) 4.31 4.73 -13.7 2 6 0 92 440.905 6

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

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