UCSF

ZINC37101621

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 26 Yes

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) 4.53 8.32 -12.33 2 5 0 71 367.474 5
Hi High (pH 8-9.5) 4.35 6.96 -42.52 1 5 -1 77 366.466 5

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