In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2008 | 18 | Yes |
Popular Name: 3-[[(1S)-1-(5-methyl-2-thienyl)ethyl]amino]-1-pyrrolidin-1-yl-propan-1-one 3-[[(1S)-1-(5-methyl-2-thienyl)e…
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) | 2.20 | 7.33 | -43.09 | 2 | 3 | 1 | 37 | 267.418 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.20 | 6.01 | -8.13 | 1 | 3 | 0 | 32 | 266.41 | 5 | ↓ |