UCSF

ZINC57942467

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 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) 2.58 6.63 -33.97 2 3 1 26 251.394 9
Mid Mid (pH 6-8) 2.58 5.87 -41.41 2 3 1 29 251.394 9

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Rings

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