In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 21st, 2009 | 16 | Yes |
Popular Name: N-[(1R)-1-methylpropyl]-3-(2-thienylmethylamino)propanamide N-[(1R)-1-methylpropyl]-3-(2-thi…
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) | 1.98 | 5.27 | -44.08 | 3 | 3 | 1 | 46 | 241.38 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.98 | 3.92 | -7.3 | 2 | 3 | 0 | 41 | 240.372 | 7 | ↓ |