UCSF

ZINC37094663

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 1.62 4.26 -124.57 4 5 2 60 298.427 9
Mid Mid (pH 6-8) 1.62 2.32 -46.07 3 5 1 59 297.419 9
Mid Mid (pH 6-8) 1.62 3.87 -33.72 3 5 1 58 297.419 9

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Rings

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