UCSF

ZINC33359853

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2009 43 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) -2.92 -0.28 -115.17 10 14 0 255 602.641 10
Hi High (pH 8-9.5) -2.92 -0.22 -183.88 8 14 -2 253 600.625 10
Mid Mid (pH 6-8) -2.92 -1.22 -135.65 9 14 -1 250 601.633 10
Mid Mid (pH 6-8) -2.92 0.65 -127.16 10 14 0 251 602.641 10
Mid Mid (pH 6-8) -2.92 1.67 -120.72 11 14 1 256 603.649 10

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

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