In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 18 | Yes |
Popular Name: (1S)-N'-(cyclopropylmethyl)-N,N-diethyl-1-phenyl-ethane-1,2-diamine (1S)-N'-(cyclopropylmethyl)-N,N-…
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) | 2.98 | 9.25 | -115.51 | 3 | 2 | 2 | 21 | 248.414 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.98 | 6.48 | -0.99 | 1 | 2 | 0 | 15 | 246.398 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.98 | 7.88 | -30.21 | 2 | 2 | 1 | 16 | 247.406 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.98 | 7.82 | -36.83 | 2 | 2 | 1 | 20 | 247.406 | 8 | ↓ |