In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2008 | 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) | 2.64 | 8.34 | -93.28 | 4 | 5 | 2 | 53 | 410.553 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.64 | 7.2 | -39.05 | 3 | 5 | 1 | 49 | 409.545 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.64 | 9.06 | -96.58 | 4 | 5 | 2 | 50 | 410.553 | 8 | ↓ |