UCSF

ZINC41681629

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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) 1.92 6.87 -97.7 4 3 2 35 265.445 9
Hi High (pH 8-9.5) 1.92 4.4 -40.06 3 3 1 34 264.437 9
Hi High (pH 8-9.5) 1.92 6.49 -36.05 3 3 1 34 264.437 9

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Rings

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