In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 7th, 2011 | 19 | 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) | 2.95 | 3.94 | -9.68 | 1 | 4 | 0 | 59 | 292.747 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.95 | 4.2 | -43.48 | 0 | 4 | -1 | 61 | 291.739 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.