UCSF

ZINC19437659

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 16 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) 0.06 5.33 -31.39 2 3 0 57 245.25 2
Hi High (pH 8-9.5) 0.06 4.2 -48.53 1 3 -1 52 244.242 2

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

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