In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 19 | 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) | 0.26 | 6.13 | -10.63 | 0 | 4 | 0 | 53 | 252.321 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.26 | 6.15 | -38.03 | 1 | 4 | 1 | 54 | 253.329 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.26 | 6.2 | -96.31 | 2 | 4 | 2 | 55 | 254.337 | 6 | ↓ |