In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 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) | 3.78 | 9.09 | -34.6 | 2 | 2 | 1 | 16 | 301.376 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.78 | 10.2 | -126.57 | 3 | 2 | 2 | 21 | 302.384 | 7 | ↓ |