In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2010 | 21 | Yes |
Popular Name: (3S)-N-[(1R)-1-(4-butylphenyl)ethyl]-1-cyclopropyl-pyrrolidin-3-amine (3S)-N-[(1R)-1-(4-butylphenyl)et…
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) | 4.43 | 9.46 | -37.44 | 2 | 2 | 1 | 20 | 287.471 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.43 | 11.8 | -107.63 | 3 | 2 | 2 | 21 | 288.479 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.43 | 10.79 | -31.97 | 2 | 2 | 1 | 16 | 287.471 | 7 | ↓ |