In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 13th, 2010 | 29 | 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 |
---|---|---|---|---|---|---|---|---|---|---|
Mid Mid (pH 6-8) | 0.04 | 0.44 | -57.68 | 1 | 10 | -1 | 144 | 439.495 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.04 | 0.27 | -27.67 | 2 | 10 | 0 | 142 | 440.503 | 3 | ↓ |