UCSF

ZINC19451984

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 27 No

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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) 4.31 5.9 -29.1 3 7 1 90 364.429 4
Mid Mid (pH 6-8) 3.82 6.02 -59.33 1 7 -1 91 362.413 5

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

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