In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 20 | Yes |
Popular Name: (2S)-2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-butanediamide (2S)-2-amino-N-(1,3-benzothiazol…
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) | 0.32 | 0.07 | -42.29 | 5 | 6 | 1 | 104 | 293.372 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.32 | -0.25 | -16.94 | 4 | 6 | 0 | 102 | 292.364 | 5 | ↓ |