In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2004 | 13 | 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) | 1.13 | 2.03 | -43.23 | 2 | 4 | -1 | 79 | 176.151 | 0 | ↓ |
Mid Mid (pH 6-8) | 1.13 | 1.52 | -12.3 | 3 | 4 | 0 | 76 | 177.159 | 0 | ↓ |
Mid Mid (pH 6-8) | 1.13 | 1.02 | -10.13 | 3 | 4 | 0 | 76 | 177.159 | 0 | ↓ |