UCSF

ZINC33446097

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2009 27 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) 4.63 10.01 -10.89 1 5 0 62 493.37 3
Lo Low (pH 4.5-6) 0.96 10.82 -35.04 2 5 1 61 494.378 4

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

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