UCSF

ZINC49510714

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 21 No

Popular Name: 4-[(2S)-2-[2-(chloromethyl)-5-methyl-benzimidazol-1-yl]propyl]morpholine 4-[(2S)-2-[2-(chloromethyl)-5-me…

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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) 2.84 6.72 -8.82 0 4 0 30 307.825 4 ↓
Mid Mid (pH 6-8) 2.84 8.78 -50.27 1 4 1 31 308.833 4 ↓
Lo Low (pH 4.5-6) 2.84 9.22 -96.63 2 4 2 33 309.841 4 ↓

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

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