In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 2010 | 18 | Yes |
Popular Name: (1S,2R)-N1-cyclopropyl-N1-isobutyl-1-(1-methylpyrazol-4-yl)propane-1,2-diamine (1S,2R)-N1-cyclopropyl-N1-isobut…
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) | 1.00 | 3.52 | -45.13 | 3 | 4 | 1 | 49 | 251.398 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.00 | 5.66 | -108.6 | 4 | 4 | 2 | 50 | 252.406 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.00 | 5.41 | -31.29 | 3 | 4 | 1 | 48 | 251.398 | 6 | ↓ |