In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2011 | 21 | Yes |
Popular Name: [3-methyl-5-(methylamino)isothiazol-4-yl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone [3-methyl-5-(methylamino)isothia…
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) | 2.36 | 6.31 | -9.82 | 1 | 4 | 0 | 45 | 301.415 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.