UCSF

ZINC66184113

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 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) 3.49 7.78 -37.29 2 3 1 26 251.394 9
Hi High (pH 8-9.5) 3.49 5.66 -3.32 1 3 0 24 250.386 9

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Rings

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