In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 10th, 2011 | 27 | Yes |
Popular Name: 12-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3,8,12-triazaspiro[5.6]dodecan-7-one 12-methyl-3-[(2,4,6-trimethoxyph…
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) | 1.50 | 3.66 | -33.18 | 2 | 7 | 1 | 64 | 378.493 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.50 | 1.36 | -12.58 | 1 | 7 | 0 | 63 | 377.485 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.