In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2010 | 16 | Yes |
Popular Name: (2S)-N1-cyclopentyl-N2-[(1S)-1-cyclopropylethyl]-N2-methyl-propane-1,2-diamine (2S)-N1-cyclopentyl-N2-[(1S)-1-c…
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) | 3.06 | 8.52 | -111.41 | 3 | 2 | 2 | 21 | 226.408 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.06 | 7.34 | -29.44 | 2 | 2 | 1 | 16 | 225.4 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.06 | 6.73 | -33.73 | 2 | 2 | 1 | 20 | 225.4 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.