In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 27th, 2010 | 20 | Yes |
Popular Name: (1R)-1-(4-bromophenyl)-N,N'-dimethyl-N'-(2-thienylmethyl)propane-1,3-diamine (1R)-1-(4-bromophenyl)-N,N'-dime…
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) | 3.19 | 8.14 | -46.83 | 2 | 2 | 1 | 20 | 354.337 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.19 | 7 | -3.25 | 1 | 2 | 0 | 15 | 353.329 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.19 | 9.36 | -38.48 | 2 | 2 | 1 | 16 | 354.337 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.19 | 10.49 | -125.65 | 3 | 2 | 2 | 21 | 355.345 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.