UCSF

ZINC49575637

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 18 Yes

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) 0.97 5.85 -79.28 2 6 0 82 250.302 5
Hi High (pH 8-9.5) 0.97 3.64 -49.93 1 6 -1 81 249.294 5
Lo Low (pH 4.5-6) 0.97 6.01 -98.34 3 6 1 84 251.31 5

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

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