In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2010 | 15 | Yes |
Popular Name: (2S)-N1-[(1R,2R)-2-phenylcyclopropyl]butane-1,2-diamine (2S)-N1-[(1R,2R)-2-phenylcyclopr…
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) | 1.54 | 5.98 | -117.36 | 5 | 2 | 2 | 44 | 206.333 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.54 | 4.65 | -36.72 | 4 | 2 | 1 | 40 | 205.325 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.54 | 5.66 | -35.37 | 4 | 2 | 1 | 43 | 205.325 | 5 | ↓ |