UCSF

ZINC69946542

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 14 Yes

Popular Name: 3-[(S)-amino(3-furyl)methyl]pyridin-2-amine 3-[(S)-amino(3-furyl)methyl]pyri…

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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) 0.38 1.35 -50.2 5 4 1 80 190.226 2 ↓
Mid Mid (pH 6-8) 0.38 1.02 -6.8 4 4 0 78 189.218 2 ↓
Mid Mid (pH 6-8) 0.38 1.5 -30.98 5 4 1 79 190.226 2 ↓
Lo Low (pH 4.5-6) 0.38 1.83 -104.14 6 4 2 81 191.234 2 ↓

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

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