In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 2008 | 32 | 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) | 1.93 | 6.12 | -63.84 | 0 | 8 | -1 | 95 | 443.451 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.38 | 7.17 | -58.36 | 2 | 8 | 1 | 94 | 445.467 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.35 | 8.35 | -57.54 | 1 | 8 | 1 | 90 | 445.467 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.93 | 8.46 | -75.26 | 1 | 8 | 0 | 96 | 444.459 | 8 | ↓ |