UCSF

ZINC59732478

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 41 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) -2.16 -14.11 -25.39 11 15 0 271 580.495 4
Hi High (pH 8-9.5) -2.16 -13.2 -63.45 10 15 -1 274 579.487 4
Hi High (pH 8-9.5) -2.16 -13.05 -75.75 10 15 -1 274 579.487 4

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

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