UCSF

ZINC49546335

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 25 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) 2.42 6.38 -18.79 2 5 0 79 342.37 3
Hi High (pH 8-9.5) 2.88 5.7 -54.52 1 5 -1 82 341.362 3

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

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