UCSF

ZINC70613556

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 13 Yes

Popular Name: (4S)-1-(azetidin-3-yl)-4-ethyl-azepane (4S)-1-(azetidin-3-yl)-4-ethyl-a…

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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) 2.08 5.62 -110.36 3 2 2 21 184.327 2 ↓
Hi High (pH 8-9.5) 2.08 1.91 -0.67 1 2 0 15 182.311 2 ↓
Mid Mid (pH 6-8) 2.08 3.94 -30.99 2 2 1 16 183.319 2 ↓
Mid Mid (pH 6-8) 2.08 3.58 -36.72 2 2 1 20 183.319 2 ↓

Activity (Go SEA)

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