UCSF

ZINC67447330

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 27 Yes

Popular Name: N-[[4-(aminomethyl)phenyl]methyl]-6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide N-[[4-(aminomethyl)phenyl]methyl…

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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) 0.81 6.68 -105.67 5 7 2 91 368.485 8 ↓
Hi High (pH 8-9.5) 0.81 4.23 -14.91 3 7 0 89 366.469 8 ↓
Mid Mid (pH 6-8) 0.81 4.63 -60.15 4 7 1 90 367.477 8 ↓

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

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