UCSF

ZINC49510830

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 21 Yes

Popular Name: 1-[(1R)-1-methyl-2-morpholino-ethyl]benzimidazole-5-carboxylic 1-[(1R)-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) 1.62 6.46 -55.68 0 6 -1 70 288.327 4 ↓
Mid Mid (pH 6-8) 1.62 6.95 -60.24 1 6 0 72 289.335 4 ↓
Mid Mid (pH 6-8) 1.62 8.66 -84.78 1 6 0 72 289.335 4 ↓
Lo Low (pH 4.5-6) 1.62 9.15 -122.4 2 6 1 73 290.343 4 ↓

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

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