UCSF

ZINC69131973

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 19 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) -2.15 3.4 -49.41 2 5 0 77 288.413 6
Hi High (pH 8-9.5) -2.15 3.05 -58.6 1 5 -1 72 287.405 6
Lo Low (pH 4.5-6) -2.15 4.92 -84.82 3 5 1 78 289.421 6

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

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