In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2010 | 22 | No |
Popular Name: N-[3-(dimethylamino)propyl]-4-(3-pyridylmethyl)piperazine-1-carbothioamide N-[3-(dimethylamino)propyl]-4-(3…
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) | 0.89 | 7.07 | -50.16 | 2 | 5 | 1 | 36 | 322.502 | 8 | ↓ |
Mid Mid (pH 6-8) | 0.89 | 9.3 | -107.26 | 3 | 5 | 2 | 37 | 323.51 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.