UCSF

ZINC60321056

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2011 37 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 6.21 15.69 -53.78 1 7 1 77 537.061 8
Hi High (pH 8-9.5) 6.21 13.25 -23.74 0 7 0 76 536.053 8

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