In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 4th, 2011 | 21 | 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) | -2.66 | 10.27 | -100.15 | 1 | 4 | 1 | 58 | 281.335 | 5 | ↓ |
Lo Low (pH 4.5-6) | -2.66 | 8.29 | -96.38 | 2 | 4 | 2 | 55 | 282.343 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.