In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2010 | 17 | Yes |
Popular Name: (3S)-N-[(4-chlorophenyl)methyl]-1-cyclopropyl-pyrrolidin-3-amine (3S)-N-[(4-chlorophenyl)methyl]-…
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) | 2.69 | 7.62 | -33.28 | 2 | 2 | 1 | 16 | 251.781 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.69 | 6.41 | -44.55 | 2 | 2 | 1 | 20 | 251.781 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.69 | 5.22 | -2.27 | 1 | 2 | 0 | 15 | 250.773 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.69 | 8.82 | -116.77 | 3 | 2 | 2 | 21 | 252.789 | 4 | ↓ |