In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 24 | No |
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) | 0.12 | 2.75 | -52.27 | 4 | 9 | 1 | 113 | 337.404 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.31 | 0.21 | -52.63 | 2 | 9 | -1 | 115 | 335.388 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.12 | 1.78 | -17.43 | 3 | 9 | 0 | 108 | 336.396 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.