In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 3rd, 2010 | 14 | Yes |
Popular Name: [(3R)-1-[(4-methylthiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine [(3R)-1-[(4-methylthiazol-2-yl)m…
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) | -0.07 | 0.9 | -47.82 | 3 | 3 | 1 | 44 | 212.342 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.07 | 3.43 | -105.29 | 4 | 3 | 2 | 45 | 213.35 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.