In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2011 | 13 | Yes |
Popular Name: (4S,5S)-4-amino-1-methyl-5-(3-thienyl)pyrrolidin-2-one (4S,5S)-4-amino-1-methyl-5-(3-th…
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) | -0.17 | 2.4 | -49.29 | 3 | 3 | 1 | 48 | 197.283 | 1 | ↓ |
Hi High (pH 8-9.5) | -0.17 | 2.11 | -7.92 | 2 | 3 | 0 | 46 | 196.275 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.