UCSF

ZINC19674329

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 19 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) 1.33 5.3 -98.13 4 3 2 35 267.392 5
Mid Mid (pH 6-8) 1.33 2.83 -47.89 3 3 1 34 266.384 5

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