In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2008 | 31 | 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) | 2.71 | 7.95 | -26.41 | 2 | 10 | 0 | 127 | 457.541 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.35 | 6.18 | -102.05 | 0 | 10 | -2 | 137 | 455.525 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.