UCSF

ZINC38601120

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 26 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) 3.26 5.69 -92.13 3 8 2 96 350.382 5
Hi High (pH 8-9.5) 3.26 5.52 -32.3 2 8 1 94 349.374 5
Lo Low (pH 4.5-6) 2.72 6.7 -193.69 4 8 3 97 351.39 4

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

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