UCSF

ZINC38139090

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2010 38 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) 3.53 8.12 -52.29 3 10 1 136 560.722 6
Hi High (pH 8-9.5) 3.53 7.27 -15.59 2 10 0 132 559.714 6

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

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