In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 16 | Yes |
Popular Name: (1R)-N-cyclopropyl-N-propyl-1-(3-pyridyl)ethane-1,2-diamine (1R)-N-cyclopropyl-N-propyl-1-(3…
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) | 0.74 | 4.96 | -28.83 | 3 | 3 | 1 | 43 | 220.34 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.74 | 3.17 | -3.22 | 2 | 3 | 0 | 42 | 219.332 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.74 | 2.99 | -49.36 | 3 | 3 | 1 | 44 | 220.34 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.74 | 5.34 | -114.91 | 4 | 3 | 2 | 45 | 221.348 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.