In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2010 | 18 | Yes |
Popular Name: (7S)-N2-(cyclopropylmethyl)-N2,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7S)-N2-(cyclopropylmethyl)-N2,5…
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) | 1.40 | 6.58 | -44.59 | 3 | 3 | 1 | 44 | 266.434 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.40 | 6.26 | -4.7 | 2 | 3 | 0 | 42 | 265.426 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.40 | 6.99 | -93.85 | 4 | 3 | 2 | 45 | 267.442 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.