In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2008 | 24 | Yes |
Popular Name: N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-methyl-1,1-dioxo-5-(p-tolyl)isothiazol-3-amine N-[[(2S)-1-ethylpyrrolidin-2-yl]…
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) | 2.89 | 5.69 | -43.86 | 1 | 5 | 0 | 65 | 347.484 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.89 | 4.26 | -19.11 | 1 | 5 | 0 | 62 | 347.484 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.89 | 6.65 | -58.57 | 2 | 5 | 1 | 63 | 348.492 | 5 | ↓ |