In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2011 | 20 | 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) | 3.19 | 7.61 | -51.36 | 2 | 5 | 0 | 66 | 268.344 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.19 | 7.46 | -8.43 | 1 | 5 | 0 | 65 | 267.336 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.