UCSF

ZINC09088147

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 25 Yes

Popular Name: 9-hydroxy-7-(4-hydroxy-3-methoxy-phenyl)-3-prop-2-ynylsulfanyl-2,4,10-triazabicyclo[4.4.0]deca-2,9,1 9-hydroxy-7-(4-hydroxy-3-methoxy…

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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) 2.04 1.79 -43.12 2 7 -1 107 356.383 4 ↓
Hi High (pH 8-9.5) 2.21 2.14 -30.78 3 7 0 112 357.391 4 ↓
Mid Mid (pH 6-8) 2.22 -0.91 -51.2 2 7 -1 111 356.383 4 ↓
Mid Mid (pH 6-8) 2.21 1.68 -43.69 2 7 -1 111 356.383 4 ↓
Lo Low (pH 4.5-6) 1.58 3.2 -19.26 3 7 0 104 357.391 4 ↓
Lo Low (pH 4.5-6) 1.76 1.01 -14.27 3 7 0 108 357.391 4 ↓

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