In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2010 | 14 | Yes |
Popular Name: (2S)-N1,N2-dimethyl-N2-(thiazol-4-ylmethyl)butane-1,2-diamine (2S)-N1,N2-dimethyl-N2-(thiazol-…
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) | 1.56 | 3.01 | -39.54 | 2 | 3 | 1 | 33 | 214.358 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.56 | 1.56 | -3.3 | 1 | 3 | 0 | 28 | 213.35 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.56 | 4.69 | -114.52 | 3 | 3 | 2 | 34 | 215.366 | 6 | ↓ |