In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2010 | 16 | Yes |
Popular Name: (2S)-2-cyclopropyl-N2-methyl-N2-[(2-methylthiazol-4-yl)methyl]propane-1,2-diamine (2S)-2-cyclopropyl-N2-methyl-N2-…
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) | 0.73 | 2.98 | -47.17 | 3 | 3 | 1 | 44 | 240.396 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.73 | 4.33 | -25.97 | 3 | 3 | 1 | 43 | 240.396 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.73 | 4.77 | -118.92 | 4 | 3 | 2 | 45 | 241.404 | 5 | ↓ |