In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 23rd, 2009 | 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) | 2.54 | 2.91 | -29.67 | 1 | 3 | -1 | 60 | 220.031 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.54 | 0.56 | -7.39 | 2 | 3 | 0 | 58 | 221.039 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.54 | 2.1 | -102.79 | 0 | 3 | -2 | 63 | 219.023 | 1 | ↓ |