UCSF

ZINC38596346

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 28 No

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Annotations

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Vendors

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) 3.51 7.22 -103.24 5 8 2 106 371.404 3
Mid Mid (pH 6-8) 3.51 7.69 -38.84 4 8 1 104 370.396 2
Mid Mid (pH 6-8) 3.51 7.88 -107.02 5 8 2 106 371.404 3

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

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