In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 17 | Yes |
Popular Name: (2R)-N1-cyclopropyl-2-methyl-N1-(3-thienylmethyl)pentane-1,2-diamine (2R)-N1-cyclopropyl-2-methyl-N1-…
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 | 7.79 | -119.7 | 4 | 2 | 2 | 32 | 254.443 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.98 | 5.45 | -33.75 | 3 | 2 | 1 | 31 | 253.435 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.98 | 7.56 | -32.59 | 3 | 2 | 1 | 30 | 253.435 | 7 | ↓ |