In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 27th, 2011 | 28 | 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) | 0.78 | 2.74 | -24.53 | 3 | 9 | 0 | 134 | 425.536 | 8 | ↓ |
Hi High (pH 8-9.5) | 0.78 | 2.8 | -39.35 | 2 | 9 | -1 | 132 | 424.528 | 8 | ↓ |
Lo Low (pH 4.5-6) | 0.78 | 3.16 | -57.73 | 4 | 9 | 1 | 136 | 426.544 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.