UCSF

ZINC70114825

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2011 17 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) 0.84 4.41 -52.86 3 4 1 55 241.355 2
Hi High (pH 8-9.5) 0.84 3.05 -9.69 2 4 0 50 240.347 2

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

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