UCSF

ZINC09012134

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 24 Yes

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

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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) 2.27 5.96 -14.08 2 6 0 84 341.392 4 ↓
Mid Mid (pH 6-8) 2.73 4.84 -44.42 1 6 -1 87 340.384 4 ↓
Lo Low (pH 4.5-6) 2.27 5.36 -18.51 2 6 0 84 341.392 4 ↓

Activity (Go SEA)

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