In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2009 | 16 | 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) | 0.19 | 3.48 | -52.04 | 3 | 5 | 0 | 86 | 220.228 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.19 | 2.23 | -51.42 | 2 | 5 | -1 | 81 | 219.22 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.19 | 2.22 | -49.56 | 2 | 5 | -1 | 81 | 219.22 | 4 | ↓ |