In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 23rd, 2009 | 30 | 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) | 0.99 | 1.66 | -10.82 | 1 | 7 | 0 | 65 | 423.529 | 8 | ↓ |
Mid Mid (pH 6-8) | 0.99 | 3.9 | -56.91 | 2 | 7 | 1 | 67 | 424.537 | 8 | ↓ |
Lo Low (pH 4.5-6) | 0.99 | 6.03 | -112.12 | 3 | 7 | 2 | 68 | 425.545 | 8 | ↓ |