In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2011 | 21 | No |
Popular Name: 2-[[(1S)-1-(3-thienyl)ethyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide 2-[[(1S)-1-(3-thienyl)ethyl]amin…
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) | 3.59 | 7.97 | -10.57 | 3 | 3 | 0 | 51 | 317.483 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.59 | 8.28 | -36.35 | 4 | 3 | 1 | 52 | 318.491 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.