In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 3rd, 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) | 1.67 | 3.96 | -8.68 | 1 | 6 | 0 | 67 | 360.483 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.67 | 6.12 | -42.15 | 2 | 6 | 1 | 69 | 361.491 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.