UCSF

ZINC09088008

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 26 Yes

Popular Name: 7-(2,4-dimethoxyphenyl)-9-hydroxy-3-prop-2-ynylsulfanyl-2,4,10-triazabicyclo[4.4.0]deca-2,9,11-trien 7-(2,4-dimethoxyphenyl)-9-hydrox…

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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) 2.28 5.29 -12.94 2 7 0 93 371.418 5 ↓
Mid Mid (pH 6-8) 2.92 0.65 -53.23 1 7 -1 100 370.41 5 ↓
Lo Low (pH 4.5-6) 2.47 2.56 -13.89 2 7 0 97 371.418 5 ↓

Activity (Go SEA)

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