UCSF

ZINC21540318

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 32 Yes

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

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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) 2.55 5.41 -17.47 3 8 0 98 434.475 5 ↓
Mid Mid (pH 6-8) 2.55 5.8 -30.42 4 8 1 100 435.483 5 ↓
Lo Low (pH 4.5-6) 2.55 8.06 -87.73 5 8 2 101 436.491 5 ↓

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

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