In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 10th, 2011 | 23 | 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) | 0.18 | 5.66 | -57.98 | 1 | 7 | 0 | 78 | 315.377 | 1 | ↓ |
Mid Mid (pH 6-8) | -0.27 | 6.92 | -61.91 | 2 | 7 | 1 | 75 | 316.385 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.