In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 8th, 2011 | 29 | No |
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) | 3.46 | 10.79 | -38.42 | 3 | 6 | 1 | 85 | 389.479 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.46 | 10.62 | -26.64 | 2 | 6 | 0 | 87 | 388.471 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.