UCSF

ZINC37195592

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 18 Yes

Popular Name: (1S,5R,6S)-N-(2,4-dimethoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine (1S,5R,6S)-N-(2,4-dimethoxypheny…

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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) 4.01 5.82 -4.48 1 3 0 30 245.322 4 ↓
Lo Low (pH 4.5-6) 4.01 6.29 -33.87 2 3 1 35 246.33 4 ↓

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Rings

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

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