UCSF

ZINC38574111

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 23 No

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Annotations

None

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) -0.12 1.08 -28 6 7 1 107 310.385 3
Hi High (pH 8-9.5) -0.11 0.92 -7.14 5 7 0 105 309.377 3
Lo Low (pH 4.5-6) -0.12 0.92 -98.64 7 7 2 108 311.393 3
Lo Low (pH 4.5-6) -0.12 3.34 -95.59 7 7 2 108 311.393 3
Lo Low (pH 4.5-6) -0.11 2.89 -117.79 7 7 2 108 311.393 3

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

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