UCSF

ZINC22126777

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 9 No

Popular Name: (5S)-3-amino-5-methyl-cyclohex-2-en-1-one (5S)-3-amino-5-methyl-cyclohex-2…

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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) 0.67 2.3 -14.06 2 2 0 43 125.171 0 ↓
Hi High (pH 8-9.5) 1.34 2.39 -37.75 1 2 -1 47 124.163 0 ↓

Activity (Go SEA)

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