UCSF

ZINC53440120

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 18 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) 1.61 4.63 -40.67 2 3 1 23 250.41 8
Hi High (pH 8-9.5) 1.61 5.25 -35.49 2 3 1 20 250.41 8
Hi High (pH 8-9.5) 1.61 7.73 -87.1 3 3 2 21 251.418 8
Mid Mid (pH 6-8) 1.61 7.1 -113.13 3 3 2 24 251.418 8

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Rings

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