UCSF

ZINC66248638

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2011 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 3.98 7.3 -56.8 2 5 1 67 392.448 4
Hi High (pH 8-9.5) 3.06 4.73 -45.47 0 5 -1 64 390.432 5
Hi High (pH 8-9.5) 3.98 5.09 -13.82 1 5 0 66 391.44 4
Mid Mid (pH 6-8) 3.06 6.98 -47.65 1 5 0 66 391.44 5

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

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