UCSF

ZINC59211370

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 29 No

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Annotations

Vendors

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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) -5.52 -6.76 -59.95 6 12 0 196 405.415 6
Hi High (pH 8-9.5) -5.45 -7.93 -82.43 5 12 -1 200 404.407 6
Mid Mid (pH 6-8) -5.52 -6.17 -93.64 7 12 1 198 406.423 6
Lo Low (pH 4.5-6) -5.56 -2.86 -98.77 8 12 2 191 407.431 6

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

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