In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2010 | 26 | 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) | 4.27 | 10.59 | -46.45 | 1 | 4 | -1 | 70 | 361.502 | 9 | ↓ |
Lo Low (pH 4.5-6) | 4.27 | 8.61 | -8.1 | 2 | 4 | 0 | 67 | 362.51 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.