In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 16th, 2011 | 21 | Yes |
Popular Name: 2-[4-[(3S)-3-ethylpiperidine-3-carbonyl]-1,4-diazepan-1-yl]acetic 2-[4-[(3S)-3-ethylpiperidine-3-c…
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) | -1.06 | 6.77 | -78.2 | 3 | 6 | 1 | 81 | 298.407 | 4 | ↓ |
Hi High (pH 8-9.5) | -1.06 | 5.2 | -65.99 | 2 | 6 | 0 | 80 | 297.399 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.