In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 20 | Yes |
Popular Name: N-[(1-tert-butylpyrazol-4-yl)methyl]-3-(1-piperidyl)propan-1-amine N-[(1-tert-butylpyrazol-4-yl)met…
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) | 2.27 | 9.01 | -107.78 | 3 | 4 | 2 | 39 | 280.46 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.27 | 6.79 | -42.84 | 2 | 4 | 1 | 38 | 279.452 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.27 | 7.66 | -36.3 | 2 | 4 | 1 | 34 | 279.452 | 7 | ↓ |