UCSF

ZINC31992620

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 11 No

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) -1.35 0.43 -55.13 3 4 1 65 157.193 1
Ref Reference (pH 7) -1.35 0.43 -55.04 3 4 1 65 157.193 1
Mid Mid (pH 6-8) -1.35 0.14 -6.64 2 4 0 63 156.185 1
Mid Mid (pH 6-8) -1.35 0.14 -7.86 2 4 0 63 156.185 1

Vendor Notes

Note Type Comments Provided By
MP 222 - 224 Enamine Building Blocks
MP 222...224 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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