In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2011 | 23 | 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) | 3.20 | 6.88 | -43.27 | 0 | 5 | -1 | 61 | 345.473 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.20 | 7.87 | -15.63 | 1 | 5 | 0 | 59 | 346.481 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.