In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 31 | 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) | 2.09 | 7.59 | -71.15 | 2 | 7 | 0 | 95 | 422.46 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.09 | 4.55 | -11.38 | 2 | 7 | 0 | 91 | 422.46 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.09 | 6.67 | -56.1 | 3 | 7 | 1 | 92 | 423.468 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.09 | 5.49 | -51.12 | 1 | 7 | -1 | 94 | 421.452 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.09 | 8.39 | -104.55 | 4 | 7 | 2 | 94 | 424.476 | 5 | ↓ |