UCSF

ZINC06748302

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 26 Yes

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

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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) 3.13 2.99 -41.71 2 7 -1 107 374.442 6 ↓
Mid Mid (pH 6-8) 2.67 4.92 -12.05 3 7 0 104 375.45 6 ↓
Mid Mid (pH 6-8) 3.31 3.32 -30.16 3 7 0 112 375.45 6 ↓
Mid Mid (pH 6-8) 3.31 2.87 -43.35 2 7 -1 111 374.442 6 ↓
Lo Low (pH 4.5-6) 2.67 4.38 -18.22 3 7 0 104 375.45 6 ↓

Activity (Go SEA)

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