In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 10th, 2009 | 25 | 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) | -1.09 | -2.55 | -53.15 | 7 | 8 | 1 | 127 | 390.555 | 10 | ↓ |
Hi High (pH 8-9.5) | -1.09 | -2.86 | -17.38 | 6 | 8 | 0 | 125 | 389.547 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.