UCSF

ZINC00536097

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 25 Yes

Popular Name: 7-(2,4-dimethylphenyl)-2-(4-ethylpiperazin-1-yl)-3,5,7,8-tetrazabicyclo[4.3.0]nona-2,4,8,10-tetraene 7-(2,4-dimethylphenyl)-2-(4-ethy…

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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) 2.89 12.24 -43.62 1 6 1 51 337.451 3 ↓
Mid Mid (pH 6-8) 2.89 10.01 -8.17 0 6 0 50 336.443 3 ↓

Activity (Go SEA)

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