UCSF

ZINC67665429

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2011 43 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) 8.72 20.7 -16.07 0 6 0 62 570.737 9
Mid Mid (pH 6-8) 8.72 21.14 -30.86 1 6 1 63 571.745 9
Lo Low (pH 4.5-6) 8.72 21.26 -38.85 1 6 1 63 571.745 9
Lo Low (pH 4.5-6) 8.72 21.72 -79.9 2 6 2 64 572.753 9

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

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