In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2011 | 15 | Yes |
Popular Name: N'-cyclopropyl-N'-methyl-N-[(2-methylthiazol-4-yl)methyl]ethane-1,2-diamine N'-cyclopropyl-N'-methyl-N-[(2-m…
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) | 0.78 | 4.35 | -34.23 | 2 | 3 | 1 | 29 | 226.369 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.78 | 1.9 | -5.24 | 1 | 3 | 0 | 28 | 225.361 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.78 | 3.27 | -38.23 | 2 | 3 | 1 | 33 | 226.369 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.78 | 5.7 | -108.65 | 3 | 3 | 2 | 34 | 227.377 | 6 | ↓ |