UCSF

ZINC52545088

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 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) 2.64 7.52 -115.77 3 2 2 21 273.218 5
Hi High (pH 8-9.5) 2.64 6.22 -33.72 2 2 1 16 272.21 5
Mid Mid (pH 6-8) 2.64 5.57 -35.71 2 2 1 20 272.21 5

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Rings

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