In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 2008 | 25 | No |
None
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) | 1.05 | 7.12 | -17.11 | 2 | 9 | 0 | 114 | 361.298 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.05 | 7.37 | -37.15 | 3 | 9 | 1 | 116 | 362.306 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.05 | 2.97 | -34.3 | 3 | 9 | 1 | 116 | 362.306 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.