UCSF

ZINC35870713

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 30 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) 4.33 12.5 -39.3 2 4 1 37 408.541 4
Mid Mid (pH 6-8) 4.33 10.26 -9.03 1 4 0 36 407.533 4

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