In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 25 | Yes |
Popular Name: 2-[2-methyl-4-[methyl-[2-(4-pyridyl)ethyl]amino]-3-quinolyl]acetic 2-[2-methyl-4-[methyl-[2-(4-pyri…
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) | 2.58 | 11.53 | -43.04 | 1 | 5 | 0 | 70 | 335.407 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.58 | 11.99 | -63.38 | 2 | 5 | 1 | 72 | 336.415 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.