UCSF

ZINC20358173

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 30 Yes

Popular Name: 2-amino-N-isobutyl-1-(3-morpholinopropyl)pyrrolo[5,4-b]quinoxaline-3-carboxamide 2-amino-N-isobutyl-1-(3-morpholi…

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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) 2.32 5.17 -21.99 3 8 0 98 410.522 7 ↓
Mid Mid (pH 6-8) 2.32 5.55 -33.98 4 8 1 100 411.53 7 ↓
Lo Low (pH 4.5-6) 2.32 7.88 -95.76 5 8 2 101 412.538 7 ↓

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

No pre-computed analogs available. Try a structural similarity search.