UCSF

ZINC19919685

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 15 Yes

Other Names:

MFCD05252631

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) 1.11 3.99 -37.56 2 3 1 33 208.329 7
Hi High (pH 8-9.5) 1.11 2.56 -3.5 1 3 0 28 207.321 7
Mid Mid (pH 6-8) 1.11 4.57 -33.81 2 3 1 29 208.329 7
Lo Low (pH 4.5-6) 1.11 4.94 -83.6 3 3 2 31 209.337 7

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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