In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2011 | 25 | 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) | 1.12 | 7.6 | -47.79 | 2 | 7 | 1 | 72 | 346.455 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.12 | 5.4 | -11.11 | 1 | 7 | 0 | 71 | 345.447 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.12 | 5.81 | -35.79 | 2 | 7 | 1 | 72 | 346.455 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.12 | 8.04 | -107.16 | 3 | 7 | 2 | 73 | 347.463 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.