UCSF

ZINC40116632

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 21 No

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Annotations

Vendors

    None

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) 0.32 2.36 -54.83 1 6 -1 95 283.263 3
Lo Low (pH 4.5-6) 0.32 1.59 -13.12 2 6 0 92 284.271 3
Lo Low (pH 4.5-6) 0.32 2.05 -42.89 3 6 1 94 285.279 3
Lo Low (pH 4.5-6) 0.32 2.81 -64.65 2 6 0 97 284.271 3

Activity (Go SEA)

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