In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2008 | 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) | 0.44 | -2.21 | -44.38 | 5 | 4 | 1 | 71 | 223.296 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.44 | 0.48 | -30.98 | 4 | 4 | 0 | 74 | 222.288 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.44 | 0.01 | -108.47 | 6 | 4 | 2 | 73 | 224.304 | 2 | ↓ |