UCSF

ZINC65528932

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 22 No

Popular Name: N-[(2S)-2-morpholino-2-(3-pyridyl)ethyl]-1,4-dithiepan-6-amine N-[(2S)-2-morpholino-2-(3-pyridy…

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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) 1.22 5.24 -48.23 2 4 1 42 340.538 5 ↓
Mid Mid (pH 6-8) 1.22 4.04 -6.12 1 4 0 37 339.53 5 ↓
Lo Low (pH 4.5-6) 1.22 5.71 -111.49 3 4 2 43 341.546 5 ↓

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

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