In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2005 | 19 | Yes |
None
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) | 2.36 | 7.81 | -61.62 | 0 | 4 | -1 | 60 | 266.361 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.36 | 5.95 | -14.72 | 1 | 4 | 0 | 58 | 267.369 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 120-121° | Matrix Scientific |
Warnings | IRRITANT | Matrix Scientific |