UCSF

ZINC36754055

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 12 Yes

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) -0.87 1.01 -74.61 3 4 0 71 172.228 3
Mid Mid (pH 6-8) -0.87 2.93 -43.43 3 4 0 71 172.228 3
Lo Low (pH 4.5-6) -0.87 3.25 -105.11 4 4 1 72 173.236 3

Vendor Notes

Note Type Comments Provided By
MP 254 - 256 Enamine Building Blocks
MP 254...256 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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