In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2011 | 18 | 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) | 1.61 | 7.25 | -27.13 | 2 | 3 | 1 | 39 | 243.33 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.61 | 6.88 | -6.72 | 1 | 3 | 0 | 38 | 242.322 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.