UCSF

ZINC03940886

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2005 23 No

Popular Name: 2-[(3,4,5-trimethoxyphenyl)methyl]-9-thia-3,7-diazabicyclo[4.3.0]nona-7,10-dien-8-amine 2-[(3,4,5-trimethoxyphenyl)methy…

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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) 2.17 -2.97 -49.96 4 6 1 83 336.437 5 ↓
Lo Low (pH 4.5-6) 2.17 -2.91 -110.49 5 6 2 84 337.445 5 ↓

Activity (Go SEA)

Rings

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