In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2011 | 21 | Yes |
Popular Name: 2-[[(1S)-1-(3-thienyl)ethyl]amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic 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) | 3.36 | 9.86 | -36.35 | 2 | 4 | 0 | 66 | 302.399 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.36 | 9.55 | -49.46 | 1 | 4 | -1 | 65 | 301.391 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.