In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 17th, 2011 | 20 | Yes |
Popular Name: (2S,4R)-4-amino-N-methyl-1-(3-propyl-1H-pyrazole-5-carbonyl)pyrrolidine-2-carboxamide (2S,4R)-4-amino-N-methyl-1-(3-pr…
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) | -0.62 | 0.3 | -64.12 | 5 | 7 | 1 | 106 | 280.352 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.62 | 0.03 | -16.98 | 4 | 7 | 0 | 104 | 279.344 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.