In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 21st, 2011 | 21 | Yes |
Popular Name: N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-1,3-benzoxazol-2-amine N-[(2R)-2-(4-ethylpiperazin-1-yl…
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 | 4.06 | -38.66 | 2 | 5 | 1 | 46 | 289.403 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.34 | 1.8 | -6.93 | 1 | 5 | 0 | 45 | 288.395 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.