In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 14 | Yes |
Popular Name: (2R)-N1,3-dimethyl-N1-(thiazol-4-ylmethyl)butane-1,2-diamine (2R)-N1,3-dimethyl-N1-(thiazol-4…
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) | 0.90 | 1.87 | -35.14 | 3 | 3 | 1 | 44 | 214.358 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.90 | 3.84 | -112.38 | 4 | 3 | 2 | 45 | 215.366 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.90 | 3.5 | -34.8 | 3 | 3 | 1 | 43 | 214.358 | 5 | ↓ |