UCSF

ZINC59106318

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2011 33 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) 0.15 -4.3 -17.25 6 11 0 175 464.423 5
Hi High (pH 8-9.5) 0.15 -3.31 -63.19 5 11 -1 178 463.415 5

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

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