UCSF

ZINC55058606

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 22 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) 1.47 7.43 -37.7 1 5 1 47 306.43 7
Mid Mid (pH 6-8) 1.47 5.18 -7.62 0 5 0 46 305.422 7
Mid Mid (pH 6-8) 1.47 7.44 -41.61 1 5 1 47 306.43 7

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

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