UCSF

ZINC69762619

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 16 No

Popular Name: (3S)-4-[2-(1,4-diazepan-1-yl)ethyl]-3-methyl-thiomorpholine (3S)-4-[2-(1,4-diazepan-1-yl)eth…

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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) 0.66 2.81 -38.3 2 3 1 23 244.428 3 ↓
Hi High (pH 8-9.5) 0.66 1.55 -2.66 1 3 0 19 243.42 3 ↓
Mid Mid (pH 6-8) 0.66 4.82 -89.77 3 3 2 24 245.436 3 ↓

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

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