UCSF

ZINC86860262

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2013 33 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) -1.61 -5.61 -59.68 7 11 -1 205 459.431 2
Hi High (pH 8-9.5) -1.61 -4.61 -115.28 6 11 -2 208 458.423 2
Mid Mid (pH 6-8) -1.61 -3.61 -56.73 8 11 0 206 460.439 2

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

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