| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 30th, 2010 | 17 | Yes |
Popular Name: (1S)-N-(cyclopropylmethyl)-N-isopropyl-1-(3-methyl-2-thienyl)ethane-1,2-diamine (1S)-N-(cyclopropylmethyl)-N-iso…
| 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) | 2.55 | 4.89 | -43.01 | 3 | 2 | 1 | 31 | 253.435 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.55 | 4.53 | -2.4 | 2 | 2 | 0 | 29 | 252.427 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.55 | 6.89 | -25.48 | 3 | 2 | 1 | 30 | 253.435 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.55 | 7 | -117.24 | 4 | 2 | 2 | 32 | 254.443 | 6 | ↓ |
