In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2010 | 24 | 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) | 1.09 | 4.55 | -56.69 | 1 | 7 | -1 | 94 | 344.42 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.27 | 5.86 | -24.39 | 2 | 7 | 0 | 87 | 345.428 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.