UCSF

ZINC20129407

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 15 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) 2.59 6.9 -31 2 2 1 16 207.341 6
Mid Mid (pH 6-8) 2.59 8.16 -110.58 3 2 2 21 208.349 6
Mid Mid (pH 6-8) 2.59 5.77 -38.99 2 2 1 20 207.341 6

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Rings

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