In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 21 | 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) | 1.76 | 6.5 | -38.28 | 2 | 4 | 1 | 37 | 294.463 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.76 | 5.15 | -49.43 | 2 | 4 | 1 | 40 | 294.463 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.76 | 7.53 | -115.63 | 3 | 4 | 2 | 41 | 295.471 | 3 | ↓ |