UCSF

ZINC69663273

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 15 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) 0.91 9.13 -41.75 1 4 1 35 207.301 4
Hi High (pH 8-9.5) 0.91 6.87 -7.31 0 4 0 34 206.293 4

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

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