In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 22nd, 2008 | 22 | 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) | -0.89 | 0.71 | -22.61 | 2 | 9 | 0 | 112 | 308.294 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.43 | -0.42 | -51.38 | 1 | 9 | -1 | 115 | 307.286 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.