UCSF

ZINC39548002

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 23 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) 4.18 8.93 -11 1 3 0 42 345.229 4
Lo Low (pH 4.5-6) 4.18 9.3 -37.2 2 3 1 43 346.237 4

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