UCSF

ZINC69459756

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 20 Yes

Popular Name: (6S)-N-[(E)-2-methyl-3-phenyl-allyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (6S)-N-[(E)-2-methyl-3-phenyl-al…

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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) 2.55 9.15 -55.88 2 4 1 47 269.372 4 ↓
Hi High (pH 8-9.5) 2.55 7.97 -8.51 1 4 0 43 268.364 4 ↓

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

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