UCSF

ZINC20244943

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 16 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) 0.45 0.53 -52.64 1 6 -1 96 244.248 5
Hi High (pH 8-9.5) 0.45 0.61 -110.53 0 6 -2 98 243.24 5

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Rings

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