In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 20th, 2009 | 16 | Yes |
Popular Name: (2S)-N-allyl-2-[(5-bromo-2-thienyl)methylamino]propanamide (2S)-N-allyl-2-[(5-bromo-2-thien…
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) | 2.41 | 4.75 | -44.19 | 3 | 3 | 1 | 46 | 304.233 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.41 | 3.5 | -7.96 | 2 | 3 | 0 | 41 | 303.225 | 6 | ↓ |