UCSF

ZINC38582648

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 16 No

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Annotations

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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) 2.61 2.48 -3.09 1 6 0 83 224.264 3
Lo Low (pH 4.5-6) 2.61 3.7 -34.69 2 6 1 87 225.272 3

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

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