UCSF

ZINC39565990

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 7 No

Other Names:

MFCD03426733

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) 0.32 0.28 -9.1 0 2 0 29 95.101 1
Lo Low (pH 4.5-6) 0.32 1.33 -38.21 1 2 1 31 96.109 1

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

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