UCSF

ZINC36128187

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 33 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) 1.77 7.75 -18.38 1 8 0 96 451.454 5
Mid Mid (pH 6-8) 1.77 8.79 -23.61 1 8 0 96 451.454 5
Mid Mid (pH 6-8) 1.77 10.21 -62.37 2 8 1 97 452.462 5

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

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