In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 29 | Yes |
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) | 1.99 | 6.91 | -24.25 | 1 | 7 | 0 | 82 | 412.515 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.99 | 6.52 | -42.68 | 0 | 7 | -1 | 84 | 411.507 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.99 | 8.49 | -60.22 | 2 | 7 | 1 | 83 | 413.523 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.99 | 8.09 | -36.23 | 1 | 7 | 0 | 85 | 412.515 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.