In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2010 | 20 | Yes |
Popular Name: (1S)-N-ethyl-1-[5-(5-isoquinolyl)-2-furyl]ethanamine (1S)-N-ethyl-1-[5-(5-isoquinolyl…
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) | 3.67 | 8.15 | -39.41 | 2 | 3 | 1 | 43 | 267.352 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.67 | 8.62 | -83.29 | 3 | 3 | 2 | 44 | 268.36 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.