UCSF

ZINC95871243

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2014 34 No

Other Names:

MFCD01076634

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) 1.66 8.22 -52.45 3 7 1 87 454.554 6
Hi High (pH 8-9.5) 2.12 5.6 -87.89 2 7 0 90 453.546 6

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

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