UCSF

ZINC07790066

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2006 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) 2.72 7.23 -48.76 3 7 1 89 350.439 10
Hi High (pH 8-9.5) 2.53 6.36 -43.45 2 7 0 95 349.431 10
Hi High (pH 8-9.5) 2.72 5.22 -18.43 2 7 0 88 349.431 10

Activity (Go SEA)

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