In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 25th, 2010 | 20 | Yes |
Popular Name: N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-1,3-benzothiazol-2-amine N-[(2S)-2-methyl-3-(2-methylimid…
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) | 2.87 | 9.3 | -35.75 | 2 | 4 | 1 | 44 | 287.412 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.87 | 8.83 | -11.92 | 1 | 4 | 0 | 43 | 286.404 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.