In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 8th, 2007 | 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) | 4.19 | 10.99 | -60.35 | 0 | 6 | -1 | 79 | 436.528 | 10 | ↓ |
Mid Mid (pH 6-8) | 4.63 | 10.87 | -11.43 | 1 | 6 | 0 | 76 | 437.536 | 9 | ↓ |