In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2009 | 28 | 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) | 1.98 | 10.48 | -10.25 | 0 | 7 | 0 | 62 | 385.443 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.98 | 10.63 | -32.7 | 1 | 7 | 1 | 63 | 386.451 | 3 | ↓ |