In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 19 | Yes |
Popular Name: (1S)-N'-(cyclopropylmethyl)-1-(3,4-dimethylphenyl)-N-ethyl-N'-methyl-ethane-1,2-diamine (1S)-N'-(cyclopropylmethyl)-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) | 3.78 | 10.84 | -118.69 | 3 | 2 | 2 | 21 | 262.441 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.78 | 9.8 | -32.61 | 2 | 2 | 1 | 16 | 261.433 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.78 | 8.91 | -32.56 | 2 | 2 | 1 | 20 | 261.433 | 7 | ↓ |