UCSF

ZINC42477649

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 20 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) 0.22 -1.06 -55.12 6 6 1 117 300.404 7
Hi High (pH 8-9.5) 0.22 -1.41 -16.12 5 6 0 115 299.396 7

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Rings

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