In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 8th, 2010 | 19 | Yes |
Popular Name: 1-[(1S)-1-(hydroxymethyl)propyl]-3-(5-isoquinolyl)urea 1-[(1S)-1-(hydroxymethyl)propyl]…
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) | 1.74 | 1.49 | -10.28 | 3 | 5 | 0 | 74 | 259.309 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.74 | 1.96 | -40.14 | 4 | 5 | 1 | 75 | 260.317 | 4 | ↓ |