In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2005 | 29 | 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) | 2.66 | 5.04 | -43.06 | 1 | 5 | 1 | 81 | 383.475 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.66 | 5.15 | -97.21 | 2 | 5 | 2 | 83 | 384.483 | 3 | ↓ |