UCSF

ZINC54898153

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 21 Yes

Popular Name: (7R)-2-[(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amin (7R)-2-[(2S,5S)-5-ethyl-2-methyl…

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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) 1.61 6.05 -45.64 3 4 1 53 310.487 2 ↓
Hi High (pH 8-9.5) 1.61 5.73 -5.48 2 4 0 51 309.479 2 ↓
Mid Mid (pH 6-8) 1.61 6.12 -23.19 3 4 1 53 310.487 2 ↓
Mid Mid (pH 6-8) 1.61 6.45 -97.37 4 4 2 54 311.495 2 ↓

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Rings

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

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