In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 21 | Yes |
Popular Name: (1R)-N'-cyclopropyl-1-(4-isopropylphenyl)-N'-(2-methoxyethyl)-N-methyl-ethane-1,2-diamine (1R)-N'-cyclopropyl-1-(4-isoprop…
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) | 3.57 | 9.25 | -106.55 | 3 | 3 | 2 | 30 | 292.467 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.57 | 7.73 | -39.42 | 2 | 3 | 1 | 29 | 291.459 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.57 | 7.34 | -1.79 | 1 | 3 | 0 | 24 | 290.451 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.57 | 9.75 | -31.97 | 2 | 3 | 1 | 26 | 291.459 | 9 | ↓ |