In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 8th, 2010 | 16 | 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) | 1.01 | 4.71 | -46.01 | 2 | 4 | 1 | 55 | 215.28 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.01 | 3.34 | -6.72 | 1 | 4 | 0 | 51 | 214.272 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.