In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 21st, 2009 | 36 | 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 |
---|---|---|---|---|---|---|---|---|---|---|
Hi High (pH 8-9.5) | -0.70 | 0.51 | -37.69 | 9 | 9 | 1 | 152 | 501.648 | 10 | ↓ |
Hi High (pH 8-9.5) | -0.70 | 0.76 | -112.57 | 10 | 9 | 2 | 153 | 502.656 | 10 | ↓ |
Hi High (pH 8-9.5) | -0.70 | -0.67 | -41.51 | 9 | 9 | 1 | 149 | 501.648 | 10 | ↓ |
Hi High (pH 8-9.5) | -0.70 | -0.29 | -127.09 | 10 | 9 | 2 | 150 | 502.656 | 10 | ↓ |
Mid Mid (pH 6-8) | -0.70 | 1.04 | -220.55 | 11 | 9 | 3 | 155 | 503.664 | 10 | ↓ |
Mid Mid (pH 6-8) | -0.70 | 1.08 | -198.7 | 11 | 9 | 3 | 155 | 503.664 | 10 | ↓ |
Lo Low (pH 4.5-6) | -0.70 | 1.21 | -350.43 | 12 | 9 | 4 | 157 | 504.672 | 10 | ↓ |