UCSF

ZINC66239336

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2011 26 Yes

Popular Name: (2S)-1-morpholino-3-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]propan-2-ol (2S)-1-morpholino-3-[(1-phenyl-4…

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Download: MOL2 SDF SMILES Flexibase

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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) 2.66 6.72 -10.01 1 5 0 51 373.522 6 ↓
Mid Mid (pH 6-8) 2.66 9.03 -42.02 2 5 1 52 374.53 6 ↓
Lo Low (pH 4.5-6) 2.66 9.47 -85.9 3 5 2 53 375.538 6 ↓

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

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