In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 20 | Yes |
Popular Name: (3S)-N-[(1R)-1-(4-chlorophenyl)-2-methyl-propyl]-1-isopropyl-pyrrolidin-3-amine (3S)-N-[(1R)-1-(4-chlorophenyl)-…
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) | 4.30 | 7.99 | -40.72 | 2 | 2 | 1 | 20 | 295.878 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.30 | 9.15 | -34.81 | 2 | 2 | 1 | 16 | 295.878 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.30 | 6.76 | -1.87 | 1 | 2 | 0 | 15 | 294.87 | 5 | ↓ |