In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2008 | 18 | Yes |
Popular Name: 3-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)phenol 3-(4,5,6,7,8,9-hexahydrocyclooct…
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) | 4.53 | 6.04 | -10.75 | 1 | 2 | 0 | 33 | 259.374 | 1 | ↓ |
Hi High (pH 8-9.5) | 4.53 | 6.83 | -50.39 | 0 | 2 | -1 | 36 | 258.366 | 1 | ↓ |
Lo Low (pH 4.5-6) | 4.53 | 6.43 | -25.88 | 2 | 2 | 1 | 34 | 260.382 | 1 | ↓ |