In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2011 | 21 | Yes |
Popular Name: (2S,4S)-4-amino-N-ethyl-1-[3-(3-methylpyrazol-1-yl)propanoyl]pyrrolidine-2-carboxamide (2S,4S)-4-amino-N-ethyl-1-[3-(3-…
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) | -1.31 | 1.68 | -66.85 | 4 | 7 | 1 | 95 | 294.379 | 5 | ↓ |
Hi High (pH 8-9.5) | -1.31 | 1.4 | -16.58 | 3 | 7 | 0 | 93 | 293.371 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.