In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 18 | Yes |
Popular Name: (2S)-1-(4-bromophenyl)-N-(4-pyridylmethyl)propan-2-amine (2S)-1-(4-bromophenyl)-N-(4-pyri…
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) | 3.15 | 7.26 | -4.34 | 1 | 2 | 0 | 25 | 305.219 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.15 | 7.72 | -32.56 | 2 | 2 | 1 | 26 | 306.227 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.15 | 8.46 | -46.41 | 2 | 2 | 1 | 29 | 306.227 | 5 | ↓ |