UCSF

ZINC69266778

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 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) 3.29 10.82 -44.43 2 4 1 41 340.491 3
Mid Mid (pH 6-8) 3.29 8.97 -10.4 1 4 0 39 339.483 3

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

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