In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 8th, 2010 | 13 | Yes |
Popular Name: (2S)-N2,N2-dimethyl-N1-(thiazol-4-ylmethyl)propane-1,2-diamine (2S)-N2,N2-dimethyl-N1-(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) | 1.03 | 2.8 | -31.29 | 2 | 3 | 1 | 29 | 200.331 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.03 | 0.83 | -3.99 | 1 | 3 | 0 | 28 | 199.323 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.03 | 4.16 | -107.9 | 3 | 3 | 2 | 34 | 201.339 | 5 | ↓ |