UCSF

ZINC54897003

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 21 Yes

Popular Name: (7R)-N2,5,5-trimethyl-N2-[(1R,3S)-3-methylcyclohexyl]-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7R)-N2,5,5-trimethyl-N2-[(1R,3S…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 2.44 8.05 -44.73 3 3 1 44 308.515 2 ↓
Hi High (pH 8-9.5) 2.44 7.73 -5.93 2 3 0 42 307.507 2 ↓
Mid Mid (pH 6-8) 2.44 8.38 -94.51 4 3 2 45 309.523 2 ↓

Activity (Go SEA)

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.