UCSF

ZINC37319589

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 17 Yes

Popular Name: (1R,5R,6S)-N-[(1R)-1-methyl-2-(1-piperidyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine (1R,5R,6S)-N-[(1R)-1-methyl-2-(1…

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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) 2.88 9.05 -114.62 3 2 2 21 236.403 4 ↓
Hi High (pH 8-9.5) 2.88 8.06 -30.1 2 2 1 16 235.395 4 ↓
Mid Mid (pH 6-8) 2.88 7.18 -33.19 2 2 1 20 235.395 4 ↓

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

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