In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 5th, 2008 | 22 | 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) | 3.29 | 9.36 | -38.58 | 1 | 2 | 1 | 8 | 303.376 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.29 | 9.3 | -36.34 | 1 | 2 | 1 | 8 | 303.376 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.29 | 6.98 | -4.12 | 0 | 2 | 0 | 6 | 302.368 | 4 | ↓ |