UCSF

ZINC36881403

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 No

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) 2.71 3.27 -11.68 1 4 0 55 298.191 6
Mid Mid (pH 6-8) 2.71 3.44 -41.8 0 4 -1 57 297.183 6

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Rings

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