UCSF

ZINC48081059

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2010 23 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) 0.33 5.98 -12.15 4 9 0 124 312.337 5
Hi High (pH 8-9.5) 0.33 5.81 -53.66 3 9 -1 123 311.329 5

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

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