In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2010 | 18 | Yes |
Popular Name: (1S)-1-cyclopropyl-N-[2-(4-isobutylpiperazin-1-yl)ethyl]ethanamine (1S)-1-cyclopropyl-N-[2-(4-isobu…
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) | 2.34 | 6.95 | -88.86 | 3 | 3 | 2 | 24 | 255.45 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.34 | 4.98 | -36.48 | 2 | 3 | 1 | 23 | 254.442 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.