UCSF

ZINC04167137

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 13 Yes

Popular Name: 3-amino-8,8-dimethyl-5-thia-2-azabicyclo[4.3.0]nona-2,10-dien-4-one 3-amino-8,8-dimethyl-5-thia-2-az…

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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) 1.89 3.67 -4.85 2 3 0 56 196.275 0 ↓
Mid Mid (pH 6-8) 1.89 4.05 -28.69 3 3 1 57 197.283 0 ↓

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

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