In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 18 | Yes |
Popular Name: (1S)-N-(cyclopropylmethyl)-1-(m-tolyl)-N-propyl-ethane-1,2-diamine (1S)-N-(cyclopropylmethyl)-1-(m-…
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) | 2.90 | 8.04 | -125.45 | 4 | 2 | 2 | 32 | 248.414 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.90 | 6.92 | -46.77 | 3 | 2 | 1 | 31 | 247.406 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.90 | 7.74 | -29.15 | 3 | 2 | 1 | 30 | 247.406 | 7 | ↓ |