In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 7th, 2010 | 15 | Yes |
Popular Name: (2R)-N2,N2,3-trimethyl-N1-(thiazol-4-ylmethyl)butane-1,2-diamine (2R)-N2,N2,3-trimethyl-N1-(thiaz…
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) | 1.81 | 5.43 | -31.29 | 2 | 3 | 1 | 29 | 228.385 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.81 | 3.4 | -3.12 | 1 | 3 | 0 | 28 | 227.377 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.81 | 3.73 | -35.94 | 2 | 3 | 1 | 33 | 228.385 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.81 | 5.71 | -109.17 | 3 | 3 | 2 | 34 | 229.393 | 6 | ↓ |