In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2009 | 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) | -0.36 | 0.94 | -36.23 | 3 | 4 | 1 | 49 | 198.29 | 1 | ↓ |
Hi High (pH 8-9.5) | -0.36 | -0.33 | -7.7 | 2 | 4 | 0 | 44 | 197.282 | 1 | ↓ |
Mid Mid (pH 6-8) | -0.36 | 0.97 | -49.88 | 3 | 4 | 1 | 49 | 198.29 | 1 | ↓ |
Mid Mid (pH 6-8) | -0.36 | 2.2 | -96.8 | 4 | 4 | 2 | 54 | 199.298 | 1 | ↓ |