In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 13 | Yes |
Popular Name: N,N'-dimethyl-N'-(thiazol-4-ylmethyl)propane-1,3-diamine N,N'-dimethyl-N'-(thiazol-4-ylme…
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) | 0.97 | 1.78 | -39.31 | 2 | 3 | 1 | 33 | 200.331 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.97 | 2.68 | -34.13 | 2 | 3 | 1 | 29 | 200.331 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.97 | 0.35 | -4.82 | 1 | 3 | 0 | 28 | 199.323 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.97 | 4.12 | -98.91 | 3 | 3 | 2 | 34 | 201.339 | 6 | ↓ |