UCSF

ZINC09124677

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 30 Yes

Popular Name: 2-(5-chloro-2-hydroxy-4-methyl-phenyl)-8-(4-ethylphenyl)-7-(3-hydroxypropyl)-3,4,7-triazabicyclo[3.3 2-(5-chloro-2-hydroxy-4-methyl-p…

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Download: MOL2 SDF SMILES Flexibase

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) 4.33 6.77 -13.63 3 6 0 89 425.916 6 ↓
Hi High (pH 8-9.5) 4.31 7.02 -42.92 1 6 -1 88 424.908 6 ↓
Hi High (pH 8-9.5) 4.31 6.78 -51.37 1 6 -1 88 424.908 6 ↓
Hi High (pH 8-9.5) 4.33 7.53 -37.67 2 6 -1 92 424.908 6 ↓
Mid Mid (pH 6-8) 4.33 7.22 -49.11 2 6 -1 92 424.908 6 ↓

Activity (Go SEA)

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