In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 2nd, 2011 | 16 | Yes |
Popular Name: (2S)-2-(cyclopropylamino)-4-(4-methylpyrazol-1-yl)butanoic (2S)-2-(cyclopropylamino)-4-(4-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) | -1.04 | 5.95 | -38.92 | 2 | 5 | 0 | 75 | 223.276 | 6 | ↓ |
Hi High (pH 8-9.5) | -1.04 | 5.01 | -47.6 | 1 | 5 | -1 | 70 | 222.268 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.