UCSF

ZINC37101785

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 2.24 2.35 -8.98 2 4 0 58 260.334 5
Hi High (pH 8-9.5) 2.24 2.55 -44.86 1 4 -1 60 259.326 5

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Rings

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