In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 2nd, 2011 | 20 | Yes |
Popular Name: (2S)-2-(cyclopropylamino)-4-[4-[(1R)-1-methylpropyl]piperazin-1-yl]butanoic (2S)-2-(cyclopropylamino)-4-[4-[…
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) | -0.36 | 6.86 | -67.2 | 3 | 5 | 1 | 64 | 284.424 | 8 | ↓ |
Hi High (pH 8-9.5) | -0.36 | 4.88 | -33.5 | 2 | 5 | 0 | 63 | 283.416 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.