UCSF

ZINC38592050

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 21 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) 0.73 0.52 -48.59 0 6 -1 87 280.263 2
Lo Low (pH 4.5-6) 0.27 3.13 -10.57 1 6 0 84 281.271 2
Lo Low (pH 4.5-6) 0.73 1.63 -56.1 1 6 0 89 281.271 2

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

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