In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 19th, 2008 | 29 | No |
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) | 4.33 | 10.01 | -33.19 | 2 | 5 | 1 | 55 | 407.46 | 3 | ↓ |
Ref Reference (pH 7) | 4.15 | 10 | -11.44 | 1 | 5 | 0 | 50 | 406.452 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.33 | 9.06 | -8.08 | 1 | 5 | 0 | 53 | 406.452 | 3 | ↓ |