In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2010 | 16 | 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) | -1.04 | 0.99 | -51.55 | 3 | 5 | 1 | 58 | 225.316 | 5 | ↓ |
Mid Mid (pH 6-8) | -1.04 | 3.25 | -119.16 | 4 | 5 | 2 | 59 | 226.324 | 5 | ↓ |
Mid Mid (pH 6-8) | -1.04 | 1.32 | -107.92 | 4 | 5 | 2 | 59 | 226.324 | 5 | ↓ |