In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2010 | 20 | Yes |
Popular Name: (6-amino-5-chloro-3-pyridyl)-(4-isobutylpiperazin-1-yl)methanone (6-amino-5-chloro-3-pyridyl)-(4-…
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) | 1.11 | 5.89 | -42.75 | 3 | 5 | 1 | 64 | 297.81 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.11 | 3.99 | -6.54 | 2 | 5 | 0 | 62 | 296.802 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.