UCSF

ZINC41495046

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 23 No

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) 4.53 9.42 -56.35 2 4 0 70 322.389 2
Mid Mid (pH 6-8) 4.79 9.99 -65.89 2 4 0 66 322.389 3
Mid Mid (pH 6-8) 4.79 9.61 -51.89 1 4 -1 65 321.381 3

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

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