In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2010 | 14 | Yes |
Popular Name: N'-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-ethyl-ethane-1,2-diamine N'-[(3S)-1-cyclopropylpyrrolidin…
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) | 0.42 | 4.21 | -82.85 | 4 | 3 | 2 | 33 | 199.342 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.42 | 1.8 | -36.81 | 3 | 3 | 1 | 32 | 198.334 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.42 | 2.84 | -29.71 | 3 | 3 | 1 | 28 | 198.334 | 6 | ↓ |