UCSF

ZINC98371667

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2015 21 Yes

Other Names:

MFCD28657248

N/A

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) -0.69 8.21 -125.78 0 7 -2 110 291.259 5
Lo Low (pH 4.5-6) -0.69 6.2 -62.15 1 7 -1 107 292.267 5
Lo Low (pH 4.5-6) -0.69 6.1 -46.51 1 7 -1 107 292.267 5

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

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