UCSF

ZINC43941151

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 24 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) 1.13 6.52 -42.18 3 6 1 68 335.472 6
Hi High (pH 8-9.5) 1.13 4.3 -7.53 2 6 0 66 334.464 6

Activity (Go SEA)

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