| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 21 | No |
Popular Name: 4-[[(1S)-1-(cyclopropylmethyl)propyl]amino]quinoline-3-carbothioamide 4-[[(1S)-1-(cyclopropylmethyl)pr…
| 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) | 4.48 | 7.17 | -37.6 | 4 | 3 | 1 | 52 | 300.451 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.48 | 6.75 | -7.28 | 3 | 3 | 0 | 51 | 299.443 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
