In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 19th, 2011 | 14 | 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) | 0.96 | 2.32 | -36.12 | 2 | 3 | 1 | 29 | 199.318 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.96 | 1.05 | -1.91 | 1 | 3 | 0 | 24 | 198.31 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.96 | 3.09 | -31.59 | 2 | 3 | 1 | 26 | 199.318 | 1 | ↓ |
Lo Low (pH 4.5-6) | 0.96 | 4.36 | -106.18 | 3 | 3 | 2 | 30 | 200.326 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.