UCSF

ZINC70337847

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2011 21 Yes

Popular Name: (2S)-2-(cyclopropylamino)-3-(1,4-oxazepan-4-yl)-2-phenyl-propan-1-ol (2S)-2-(cyclopropylamino)-3-(1,4…

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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) 1.63 4.61 -37.93 3 4 1 49 291.415 6 ↓
Hi High (pH 8-9.5) 1.63 3.23 -4.49 2 4 0 45 290.407 6 ↓
Lo Low (pH 4.5-6) 1.63 4.63 -31.36 3 4 1 46 291.415 6 ↓
Lo Low (pH 4.5-6) 1.63 4.36 -104.81 4 4 2 51 292.423 6 ↓

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

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