UCSF

ZINC04944401

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 27 Yes

Popular Name: 2-(4-hydroxy-3,5-dimethoxy-phenyl)-8-propylsulfanyl-5,7,9-triazabicyclo[4.4.0]deca-7,11-diene-4,10-d 2-(4-hydroxy-3,5-dimethoxy-pheny…

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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) 2.31 3.89 -13.89 3 8 0 114 391.449 6 ↓
Mid Mid (pH 6-8) 2.95 1.81 -43.35 2 8 -1 120 390.441 6 ↓
Mid Mid (pH 6-8) 2.95 2.29 -31.41 3 8 0 121 391.449 6 ↓

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