In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 27th, 2010 | 26 | 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) | 1.55 | 10.36 | -49.92 | 2 | 6 | 1 | 64 | 354.478 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.55 | 8.12 | -12.68 | 1 | 6 | 0 | 63 | 353.47 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.