UCSF

ZINC49090558

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 17 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) 1.38 3.12 -37.8 2 5 1 56 238.311 6
Hi High (pH 8-9.5) 1.38 1.07 -7.75 1 5 0 54 237.303 6

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