UCSF

ZINC86864961

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2013 9 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) -2.24 -4.45 -50.4 5 5 1 94 136.127 3
Mid Mid (pH 6-8) -2.24 -4.89 -8.33 4 5 0 93 135.119 3
Mid Mid (pH 6-8) -2.24 -3.66 -39.05 4 5 0 97 135.119 3

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

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