In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 12th, 2011 | 18 | Yes |
Popular Name: [4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanamine [4-chloro-2-(6,7-dihydro-4H-thie…
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) | 3.10 | 7.45 | -52.06 | 3 | 2 | 1 | 31 | 279.816 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.10 | 7 | -3.49 | 2 | 2 | 0 | 29 | 278.808 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.