In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 2nd, 2011 | 19 | 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) | 3.29 | 6.43 | -11.73 | 1 | 4 | 0 | 62 | 276.361 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.11 | 5.71 | -46.92 | 0 | 4 | -1 | 61 | 275.353 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.