UCSF

ZINC54897965

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Substance Information

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

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

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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) 2.68 8.19 -43.49 3 3 1 44 308.515 2 ↓
Hi High (pH 8-9.5) 2.68 7.86 -4.84 2 3 0 42 307.507 2 ↓
Mid Mid (pH 6-8) 2.68 7.09 -95.04 4 3 2 45 309.523 2 ↓

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

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