In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 21 | Yes |
Popular Name: (2S)-N-[(3-isopropyl-1-methyl-pyrazol-4-yl)methyl]-3-methyl-2-pyrrolidin-1-yl-butan-1-amine (2S)-N-[(3-isopropyl-1-methyl-py…
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) | 2.69 | 8.98 | -33.31 | 2 | 4 | 1 | 34 | 293.479 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.69 | 9.31 | -120.97 | 3 | 4 | 2 | 39 | 294.487 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.69 | 6.77 | -41.62 | 2 | 4 | 1 | 38 | 293.479 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.