UCSF

ZINC63885234

Substance Information

In ZINC since Heavy atoms Benign functionality
June 7th, 2011 28 Yes

Other Names:

MFCD00989408

Download: MOL2 SDF SMILES Flexibase

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) 1.77 8.05 -57.85 2 8 1 89 397.532 8
Hi High (pH 8-9.5) 1.77 6.7 -16.71 1 8 0 85 396.524 8

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

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