UCSF

ZINC06744800

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 30 Yes

Popular Name: 8-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-3-(4-pyridylmethyl)-3,6,7-triazabicyclo[3.3.0]octa-7,9-dien- 8-(2-hydroxyphenyl)-2-(3-hydroxy…

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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) 2.35 4.32 -14.11 3 7 0 102 398.422 4 ↓
Hi High (pH 8-9.5) 2.35 5.1 -36.24 2 7 -1 105 397.414 4 ↓
Mid Mid (pH 6-8) 2.35 5.1 -52.36 2 7 -1 105 397.414 4 ↓
Lo Low (pH 4.5-6) 2.35 4.78 -41.59 4 7 1 104 399.43 4 ↓
Lo Low (pH 4.5-6) 2.35 4.7 -39.98 4 7 1 104 399.43 4 ↓

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