UCSF

ZINC87493316

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2013 34 Yes

Other Names:

MFCD09970397

MFCD19440914

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) 7.67 17.13 -56.36 0 4 -1 66 453.558 6
Hi High (pH 8-9.5) 2.14 12.12 -18.96 1 5 1 49 445.583 5

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

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