UCSF

ZINC71531837

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 15 Yes

Popular Name: (7S)-7-methyl-1-[2-(2-thienyl)ethyl]-1,4-diazepane (7S)-7-methyl-1-[2-(2-thienyl)et…

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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) 1.94 5.16 -39.52 2 2 1 20 225.381 3 ↓
Hi High (pH 8-9.5) 1.94 3.92 -2.19 1 2 0 15 224.373 3 ↓
Lo Low (pH 4.5-6) 1.94 5.65 -32.87 2 2 1 16 225.381 3 ↓
Lo Low (pH 4.5-6) 1.94 6.93 -114.23 3 2 2 21 226.389 3 ↓

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Rings

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

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