UCSF

ZINC58568322

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 32 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) 0.60 5.29 -29.76 3 14 0 187 477.363 11
Hi High (pH 8-9.5) 0.60 6.51 -68.7 2 14 -1 190 476.355 11
Hi High (pH 8-9.5) 0.79 3.09 -58.85 2 14 -1 194 476.355 11

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

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