UCSF

ZINC42435520

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.86 7.36 -34.76 2 3 0 57 286.169 5
Hi High (pH 8-9.5) 0.86 6.07 -45.77 1 3 -1 52 285.161 5

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Rings

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