UCSF

ZINC43941161

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 27 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) 1.35 8.17 -43.86 3 6 1 68 369.489 7
Hi High (pH 8-9.5) 1.35 5.92 -8.86 2 6 0 66 368.481 7

Activity (Go SEA)

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