In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2011 | 19 | Yes |
Popular Name: (3S)-1-[3-(4-aminophenoxy)propyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[3-(4-aminophenoxy)propyl…
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) | 1.52 | 4.55 | -36.86 | 3 | 4 | 1 | 43 | 264.393 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.52 | 2.17 | -4.65 | 2 | 4 | 0 | 42 | 263.385 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.52 | 6.93 | -107.13 | 4 | 4 | 2 | 44 | 265.401 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.