In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 3rd, 2010 | 15 | Yes |
Popular Name: 4-amino-N-[(3R)-1-methylpyrrolidin-3-yl]-1,2,5-oxadiazole-3-carboxamide 4-amino-N-[(3R)-1-methylpyrrolid…
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) | -0.42 | 0.56 | -43.01 | 4 | 7 | 1 | 98 | 212.233 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.42 | -1.97 | -5.42 | 3 | 7 | 0 | 97 | 211.225 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.