UCSF

ZINC71529254

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 25 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) 2.54 8.11 -58.46 0 6 -1 77 348.411 3
Mid Mid (pH 6-8) 2.47 9.76 -24.62 1 6 0 71 349.419 3
Lo Low (pH 4.5-6) 2.47 10.21 -42.28 2 6 1 72 350.427 3

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

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