In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2010 | 19 | Yes |
Popular Name: (2R)-N1-tert-butyl-N2,3-dimethyl-N2-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine (2R)-N1-tert-butyl-N2,3-dimethyl…
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) | 2.20 | 5.55 | -35.1 | 2 | 4 | 1 | 38 | 267.441 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.20 | 5.71 | -4.42 | 1 | 4 | 0 | 33 | 266.433 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.20 | 7.98 | -115.7 | 3 | 4 | 2 | 39 | 268.449 | 7 | ↓ |