In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2010 | 21 | Yes |
Popular Name: N-[(1S)-1-[2-(3,4-dihydro-2H-quinolin-1-yl)thiazol-5-yl]ethyl]propan-1-amine N-[(1S)-1-[2-(3,4-dihydro-2H-qui…
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) | 4.54 | 10.54 | -41.25 | 2 | 3 | 1 | 33 | 302.467 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.54 | 9.37 | -7.02 | 1 | 3 | 0 | 28 | 301.459 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.