In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2011 | 13 | 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) | 2.23 | 6.43 | -109.66 | 3 | 2 | 2 | 21 | 186.343 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.23 | 4.99 | -31.67 | 2 | 2 | 1 | 16 | 185.335 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.23 | 4.53 | -36.46 | 2 | 2 | 1 | 20 | 185.335 | 4 | ↓ |