UCSF

ZINC67459981

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 24 Yes

Popular Name: 6-[(4-methyl-1,4-diazepan-1-yl)methyl]-3-phenyl-pyrazolo[1,5-a]pyrimidine 6-[(4-methyl-1,4-diazepan-1-yl)m…

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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) 2.24 9.09 -43.37 1 5 1 38 322.436 3 ↓
Hi High (pH 8-9.5) 2.24 6.97 -9.23 0 5 0 37 321.428 3 ↓
Lo Low (pH 4.5-6) 2.24 11.19 -128.41 2 5 2 39 323.444 3 ↓

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

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