UCSF

ZINC06744788

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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 5.15 -14.77 3 7 0 102 398.422 4 ↓
Hi High (pH 8-9.5) 2.35 5.97 -47.61 2 7 -1 105 397.414 4 ↓
Mid Mid (pH 6-8) 2.35 5.93 -54.53 2 7 -1 105 397.414 4 ↓
Lo Low (pH 4.5-6) 2.35 5.65 -47.74 4 7 1 104 399.43 4 ↓
Lo Low (pH 4.5-6) 2.35 5.61 -47.76 4 7 1 104 399.43 4 ↓

Activity (Go SEA)

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