In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 8th, 2011 | 17 | Yes |
Popular Name: 2-methyl-2-(methylamino)-1-[(2S)-2-(3-thienyl)pyrrolidin-1-yl]propan-1-one 2-methyl-2-(methylamino)-1-[(2S)…
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) | 1.83 | 6.03 | -45.85 | 2 | 3 | 1 | 37 | 253.391 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.83 | 5.74 | -7.31 | 1 | 3 | 0 | 32 | 252.383 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.