In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 6th, 2010 | 17 | Yes |
Popular Name: (1S,2R)-1-(4-chlorophenyl)-N1-(cyclopropylmethyl)-N1-methyl-propane-1,2-diamine (1S,2R)-1-(4-chlorophenyl)-N1-(c…
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) | 2.68 | 7.97 | -123.3 | 4 | 2 | 2 | 32 | 254.805 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.68 | 7.53 | -33.19 | 3 | 2 | 1 | 30 | 253.797 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.68 | 6.27 | -40.38 | 3 | 2 | 1 | 31 | 253.797 | 5 | ↓ |