| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 2nd, 2011 | 21 | No |
Popular Name: 3,3-dimethyl-1-[(4S)-4-(4-methylpiperazine-1-carbonyl)thiazolidin-3-yl]butan-1-one 3,3-dimethyl-1-[(4S)-4-(4-methyl…
| 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) | 1.24 | 5.06 | -12.18 | 0 | 5 | 0 | 44 | 313.467 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.24 | 7.4 | -45.98 | 1 | 5 | 1 | 45 | 314.475 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
