In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 21 | 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) | 2.89 | 6.49 | -48.86 | 0 | 5 | -1 | 62 | 292.355 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.89 | 8.52 | -76.31 | 1 | 5 | 0 | 63 | 293.363 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.