In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 23rd, 2009 | 35 | 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) | 1.69 | 6.24 | -15.81 | 0 | 8 | 0 | 64 | 483.609 | 10 | ↓ |
Mid Mid (pH 6-8) | 1.69 | 8.5 | -43.95 | 1 | 8 | 1 | 65 | 484.617 | 10 | ↓ |
Lo Low (pH 4.5-6) | 1.69 | 10.78 | -113.92 | 2 | 8 | 2 | 66 | 485.625 | 10 | ↓ |