In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 28 | 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) | 3.77 | 10.3 | -13.42 | 0 | 4 | 0 | 36 | 389.524 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.77 | 12.5 | -53.23 | 1 | 4 | 1 | 38 | 390.532 | 3 | ↓ |