In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2010 | 16 | No |
Popular Name: N-methyl-1-[(2S,5S)-5-(1,4-thiazepan-4-ylmethyl)tetrahydrofuran-2-yl]methanamine N-methyl-1-[(2S,5S)-5-(1,4-thiaz…
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) | 1.15 | 6.16 | -93.02 | 3 | 3 | 2 | 30 | 246.42 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.