In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2011 | 28 | 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) | 1.50 | 1.89 | -66.44 | 2 | 8 | -1 | 121 | 422.508 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.50 | 1.6 | -22.94 | 3 | 8 | 0 | 119 | 423.516 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.