In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 17 | Yes |
Popular Name: (2R)-1-[cyclopropyl(3-thienylmethyl)amino]-3-(ethylamino)propan-2-ol (2R)-1-[cyclopropyl(3-thienylmet…
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) | 0.86 | 3.29 | -37.62 | 3 | 3 | 1 | 40 | 255.407 | 8 | ↓ |
Hi High (pH 8-9.5) | 0.86 | 1.87 | -2.95 | 2 | 3 | 0 | 35 | 254.399 | 8 | ↓ |
Mid Mid (pH 6-8) | 0.86 | 5.88 | -36.67 | 3 | 3 | 1 | 44 | 255.407 | 8 | ↓ |