UCSF

ZINC37173908

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) 3.05 4.72 -12.14 1 4 0 50 251.326 5
Hi High (pH 8-9.5) 3.05 5.63 -56.56 0 4 -1 53 250.318 5

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Rings

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