In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2010 | 19 | Yes |
Popular Name: 4-[[[(1R)-1-(5-methyl-2-thienyl)ethyl]amino]methyl]benzamide 4-[[[(1R)-1-(5-methyl-2-thienyl)…
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) | 2.39 | 5.52 | -50.11 | 4 | 3 | 1 | 60 | 275.397 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.39 | 4.32 | -9.83 | 3 | 3 | 0 | 55 | 274.389 | 5 | ↓ |