UCSF

ZINC68872005

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2011 26 Yes

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) 3.92 10.12 -42.6 2 4 1 43 373.904 7
Hi High (pH 8-9.5) 3.92 7.4 -9.81 1 4 0 42 372.896 7

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

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