In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 15th, 2011 | 16 | Yes |
Popular Name: (1R)-1-cyclopropyl-N'-(cyclopropylmethyl)-N-ethyl-N'-propyl-ethane-1,2-diamine (1R)-1-cyclopropyl-N'-(cycloprop…
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) | 3.11 | 9.04 | -112.58 | 3 | 2 | 2 | 21 | 226.408 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.11 | 7.14 | -31.75 | 2 | 2 | 1 | 20 | 225.4 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.11 | 9.03 | -30.04 | 2 | 2 | 1 | 16 | 225.4 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.