UCSF

ZINC42445762

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 20 No

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) 2.19 1.33 -9.01 4 6 0 99 299.758 5
Hi High (pH 8-9.5) 2.19 2.11 -46.65 3 6 -1 102 298.75 5

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Rings

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