UCSF

ZINC49575396

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 21 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) 3.46 11.03 -51.41 1 3 1 22 310.824 5
Hi High (pH 8-9.5) 3.46 8.81 -6.76 0 3 0 21 309.816 5
Lo Low (pH 4.5-6) 3.46 11.45 -104.1 2 3 2 24 311.832 5

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

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