In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 4th, 2011 | 29 | 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) | 2.08 | 8.77 | -9.07 | 0 | 7 | 0 | 80 | 395.459 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.08 | 9.23 | -39.92 | 1 | 7 | 1 | 81 | 396.467 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.