UCSF

ZINC70337799

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2011 20 Yes

Popular Name: (2S)-2-(cyclopropylamino)-2-methyl-6-[(2S)-2-methyl-1,4-oxazepan-4-yl]hexan-1-ol (2S)-2-(cyclopropylamino)-2-meth…

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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) 1.82 4.84 -86.55 4 4 2 51 286.46 8 ↓
Hi High (pH 8-9.5) 1.82 2.88 -32.89 3 4 1 49 285.452 8 ↓

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

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