UCSF

ZINC40435214

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 12 Yes

Other Names:

MFCD11865215

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) 0.50 0 -8.98 3 5 0 85 162.152 0
Hi High (pH 8-9.5) 0.50 0.75 -40.02 2 5 -1 88 161.144 0

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

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