UCSF

ZINC70001860

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 20 Yes

Popular Name: N-[(1R)-1-(3-furyl)-2-[1-[(1S)-1-methylpropyl]pyrazol-3-yl]ethyl]propan-1-amine N-[(1R)-1-(3-furyl)-2-[1-[(1S)-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) 3.24 8.41 -30.34 2 4 1 48 276.404 8 ↓
Hi High (pH 8-9.5) 3.24 7.31 -6.3 1 4 0 43 275.396 8 ↓

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

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