UCSF

ZINC49510212

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 20 Yes

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

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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) 2.33 6.07 -8.58 2 5 0 56 339.237 3 ↓
Mid Mid (pH 6-8) 2.33 6.53 -30.62 3 5 1 58 340.245 3 ↓
Mid Mid (pH 6-8) 2.33 8.06 -50.94 3 5 1 58 340.245 3 ↓
Lo Low (pH 4.5-6) 2.33 8.53 -100.92 4 5 2 59 341.253 3 ↓

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Rings

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

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