UCSF

ZINC40449283

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 13 No

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) 0.35 -0.74 -52.91 1 4 0 49 200.263 0
Hi High (pH 8-9.5) 0.35 -3.14 -35.3 0 4 -1 48 199.255 0

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

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