In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 12th, 2011 | 27 | 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) | 2.13 | 4.12 | -11.96 | 1 | 7 | 0 | 79 | 395.525 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.13 | 3.83 | -45.46 | 0 | 7 | -1 | 81 | 394.517 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.