In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 20 | Yes |
Popular Name: (1S)-N'-cyclopropyl-1-(3,4-dimethylphenyl)-N'-(2-methoxyethyl)-N-methyl-ethane-1,2-diamine (1S)-N'-cyclopropyl-1-(3,4-dimet…
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) | 2.89 | 9.09 | -108.34 | 3 | 3 | 2 | 30 | 278.44 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.88 | 7.29 | -32.18 | 2 | 3 | 1 | 29 | 277.432 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.89 | 7.91 | -31.63 | 2 | 3 | 1 | 26 | 277.432 | 8 | ↓ |