In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 24th, 2010 | 25 | Yes |
Popular Name: 2-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3-benzothiazole 2-[(3S)-1-[[4-(trifluoromethyl)p…
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) | 4.53 | 9.11 | -8.22 | 0 | 2 | 0 | 16 | 362.42 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.53 | 11.56 | -50.54 | 1 | 2 | 1 | 17 | 363.428 | 4 | ↓ |