In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2010 | 35 | No |
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) | 1.88 | 4.99 | -70.4 | 3 | 9 | -1 | 142 | 479.509 | 12 | ↓ |
Lo Low (pH 4.5-6) | 1.88 | 4.24 | -25.16 | 4 | 9 | 0 | 139 | 480.517 | 12 | ↓ |