UCSF

ZINC04754857

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.92 -4.26 -99.53 1 7 -2 126 388.184 5
Hi High (pH 8-9.5) 3.92 -3.81 -192.78 0 7 -3 128 387.176 5

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

No pre-computed analogs available. Try a structural similarity search.