In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 32 | 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) | 2.70 | 7.06 | -57.46 | 1 | 7 | -1 | 89 | 501.401 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.70 | 9.33 | -71.72 | 2 | 7 | 0 | 90 | 502.409 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.70 | 8.56 | -55.95 | 3 | 7 | 1 | 87 | 503.417 | 6 | ↓ |