UCSF

ZINC37098354

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 0.39 5.14 -34.79 3 3 1 40 223.34 6
Mid Mid (pH 6-8) 0.39 5.5 -128.41 4 3 2 41 224.348 6
Mid Mid (pH 6-8) 0.39 3.51 -42.08 3 3 1 40 223.34 6

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Rings

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