UCSF

ZINC52854836

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 19 Yes

Popular Name: 1-[(1S)-1-methyl-2-morpholino-ethyl]benzimidazol-5-amine 1-[(1S)-1-methyl-2-morpholino-et…

Find On: PubMed — Wikipedia — Google

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) 0.79 3.76 -9.59 2 5 0 56 260.341 3 ↓
Mid Mid (pH 6-8) 0.79 5.76 -49.33 3 5 1 58 261.349 3 ↓
Mid Mid (pH 6-8) 0.79 4.25 -31.9 3 5 1 58 261.349 3 ↓
Lo Low (pH 4.5-6) 0.79 6.25 -100.17 4 5 2 59 262.357 3 ↓

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

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