UCSF

ZINC71556531

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 25 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) 2.78 3.82 -54.98 1 7 -1 95 360.415 5
Lo Low (pH 4.5-6) 2.78 3.75 -20.4 2 7 0 93 361.423 5
Lo Low (pH 4.5-6) 2.78 4.15 -36.2 3 7 1 95 362.431 5
Lo Low (pH 4.5-6) 2.78 4.22 -32.49 2 7 0 97 361.423 5

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

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