In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 19th, 2008 | 35 | 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) | 4.66 | 15.12 | -23.17 | 1 | 7 | 0 | 81 | 459.509 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.66 | 15.46 | -39.86 | 2 | 7 | 1 | 83 | 460.517 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.