| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2010 | 25 | Yes |
Popular Name: (2S)-N-[5-(1-piperidyl)-8-isoquinolyl]-2-ureido-propanamide (2S)-N-[5-(1-piperidyl)-8-isoqui…
None
| 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) | 1.53 | 3.68 | -11.05 | 4 | 7 | 0 | 100 | 341.415 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.53 | 4.16 | -43.03 | 5 | 7 | 1 | 102 | 342.423 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.53 | 4.12 | -101.55 | 6 | 7 | 2 | 103 | 343.431 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
