In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 28th, 2008 | 23 | 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) | 3.70 | 11.03 | -38.96 | 2 | 2 | 1 | 16 | 307.461 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.70 | 9.89 | -43.25 | 2 | 2 | 1 | 20 | 307.461 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.70 | 12.18 | -119.3 | 3 | 2 | 2 | 21 | 308.469 | 4 | ↓ |