UCSF

ZINC37094168

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 0.44 3.02 -40.92 3 5 1 66 253.322 5
Hi High (pH 8-9.5) 0.44 2.61 -13.36 2 5 0 65 252.314 5

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Rings

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