UCSF

ZINC53446061

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 17 No

Popular Name: 3-methyl-N-[2-(1,4-thiazepan-4-yl)ethyl]aniline 3-methyl-N-[2-(1,4-thiazepan-4-y…

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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) 2.91 8.31 -40.26 2 2 1 16 251.419 4 ↓
Mid Mid (pH 6-8) 2.91 6.3 -3.44 1 2 0 15 250.411 4 ↓

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

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