UCSF

ZINC03630868

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 25 No

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Annotations

Vendors

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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) 3.79 13.94 -42.59 1 3 1 31 403.34 7
Mid Mid (pH 6-8) 3.79 11.71 -6.82 0 3 0 30 402.332 7

Activity (Go SEA)

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