In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 27th, 2010 | 27 | Yes |
None
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) | 4.81 | 11.63 | -38.88 | 4 | 5 | 1 | 70 | 364.517 | 1 | ↓ |
Hi High (pH 8-9.5) | 4.81 | 11.12 | -17.3 | 3 | 5 | 0 | 68 | 363.509 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.