In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 24th, 2010 | 17 | Yes |
Popular Name: (3R)-1-[(3-methylisoxazol-5-yl)methyl]-3-(propylamino)pyrrolidin-2-one (3R)-1-[(3-methylisoxazol-5-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) | 0.79 | 4.63 | -47.23 | 2 | 5 | 1 | 63 | 238.311 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.79 | 3.43 | -8.83 | 1 | 5 | 0 | 58 | 237.303 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.