In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 6th, 2007 | 36 | 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) | 5.53 | 13.85 | -53.25 | 0 | 8 | -1 | 119 | 502.503 | 5 | ↓ |
Mid Mid (pH 6-8) | 5.98 | 12.83 | -24.35 | 1 | 8 | 0 | 116 | 503.511 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.95 | 14 | -17.25 | 0 | 8 | 0 | 113 | 503.511 | 5 | ↓ |