In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2010 | 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) | 3.69 | 9.41 | -9.52 | 0 | 4 | 0 | 30 | 361.848 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.69 | 9.86 | -28.48 | 1 | 4 | 1 | 31 | 362.856 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.69 | 11.58 | -95.37 | 2 | 4 | 2 | 32 | 363.864 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.