In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2010 | 18 | Yes |
Popular Name: (3R)-1-cyclopropyl-N-[(2S)-2-phenylpropyl]pyrrolidin-3-amine (3R)-1-cyclopropyl-N-[(2S)-2-phe…
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) | 3.21 | 8.3 | -32.12 | 2 | 2 | 1 | 16 | 245.39 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.21 | 5.97 | -2.05 | 1 | 2 | 0 | 15 | 244.382 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.21 | 7.17 | -41.56 | 2 | 2 | 1 | 20 | 245.39 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.21 | 9.51 | -112.35 | 3 | 2 | 2 | 21 | 246.398 | 5 | ↓ |