In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 13th, 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) | 3.44 | 13.85 | -14.4 | 0 | 6 | 0 | 53 | 409.509 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.44 | 14.24 | -32.94 | 1 | 6 | 1 | 54 | 410.517 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.44 | 14.21 | -34.74 | 1 | 6 | 1 | 54 | 410.517 | 3 | ↓ |