UCSF

ZINC05822995

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 31 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) -3.06 -9.17 -23.44 7 13 0 215 458.449 9
Hi High (pH 8-9.5) -3.06 -8.99 -56.03 6 13 -1 217 457.441 9

Activity (Go SEA)

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