UCSF

ZINC37079713

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 0.60 2.78 -46.57 3 2 1 31 201.359 4
Lo Low (pH 4.5-6) 0.60 4.37 -121.78 4 2 2 32 202.367 4

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

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