In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 10th, 2011 | 28 | Yes |
Popular Name: 8-chloro-7-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-b]quinoline-2-carboxamide 8-chloro-7-methoxy-N-[2-(4-methy…
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) | 3.22 | 6.01 | -46.77 | 2 | 6 | 1 | 59 | 419.958 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.22 | 3.63 | -15.49 | 1 | 6 | 0 | 58 | 418.95 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.