In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2011 | 26 | Yes |
Popular Name: 2-[[4-[(3,5-dimethylisoxazol-4-yl)methyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile 2-[[4-[(3,5-dimethylisoxazol-4-y…
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) | 1.59 | 9.6 | -47.94 | 1 | 6 | 1 | 62 | 350.446 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.59 | 9.59 | -51.59 | 1 | 6 | 1 | 62 | 350.446 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.59 | 7.35 | -15.3 | 0 | 6 | 0 | 61 | 349.438 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.