In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2005 | 30 | 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) | 4.30 | 13.23 | -15.74 | 2 | 7 | 0 | 81 | 403.486 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.47 | 13.91 | -54.91 | 3 | 7 | 1 | 86 | 404.494 | 7 | ↓ |