UCSF

ZINC06493157

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2006 24 Yes

Popular Name: 2-amino-3-(indol-3-ylidenemethyl)-8-isopropyl-7-thia-1,5,9-triazabicyclo[4.3.0]nona-2,5,8-trien-4-on 2-amino-3-(indol-3-ylidenemethyl…

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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) 2.50 6.03 -17.8 2 6 0 86 337.408 2 ↓
Ref Reference (pH 7) 2.50 5.92 -24.58 2 6 0 86 337.408 2 ↓
Lo Low (pH 4.5-6) 2.50 6.2 -49.13 3 6 1 87 338.416 2 ↓
Lo Low (pH 4.5-6) 2.50 6.49 -35.33 3 6 1 87 338.416 2 ↓

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