UCSF

ZINC11363914

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2007 24 Yes

Popular Name: 3-allylsulfanyl-5-hydroxy-7-(4-methoxyphenyl)-2,4,10-triazabicyclo[4.4.0]deca-1,3,5-trien-9-one 3-allylsulfanyl-5-hydroxy-7-(4-m…

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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) 3.42 1.31 -49.75 1 6 -1 91 342.4 5 ↓
Ref Reference (pH 7) 2.78 5.96 -10.75 2 6 0 84 343.408 5 ↓
Mid Mid (pH 6-8) 3.24 4.01 -42.01 1 6 -1 87 342.4 5 ↓
Mid Mid (pH 6-8) 2.78 5.41 -16.46 2 6 0 84 343.408 5 ↓
Mid Mid (pH 6-8) 2.97 3.23 -11.51 2 6 0 88 343.408 5 ↓

Activity (Go SEA)

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