In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 8th, 2006 | 33 | No |
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) | 4.19 | 11.24 | -7.61 | 0 | 7 | 0 | 62 | 443.503 | 5 | ↓ |
Ref Reference (pH 7) | 4.19 | 11.17 | -13.42 | 0 | 7 | 0 | 62 | 443.503 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.19 | 11.93 | -23.79 | 1 | 7 | 0 | 64 | 444.511 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.19 | 12 | -28.43 | 1 | 7 | 0 | 64 | 444.511 | 5 | ↓ |