In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2005 | 23 | Yes |
Popular Name: 2-[(3-chlorobenzyl)sulfanyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile 2-[(3-chlorobenzyl)sulfanyl]-5,6…
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) | 6.00 | 1.44 | -7.32 | 0 | 2 | 0 | 36 | 342.895 | 3 | ↓ |
Lo Low (pH 4.5-6) | 6.00 | 1.56 | -37.97 | 1 | 2 | 1 | 37 | 343.903 | 3 | ↓ |