UCSF

ZINC06519892

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2006 23 Yes

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

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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) 2.02 5.46 -19.2 2 6 0 86 323.381 2 ↓
Lo Low (pH 4.5-6) 2.02 5.61 -49.95 3 6 1 87 324.389 2 ↓
Lo Low (pH 4.5-6) 2.02 5.91 -36.4 3 6 1 87 324.389 2 ↓

Activity (Go SEA)

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