UCSF

ZINC36876991

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 Yes

Other Names:

MFCD18785536

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) -0.18 3.93 -56.19 4 5 1 75 274.344 3
Hi High (pH 8-9.5) -0.18 4.26 -7.82 3 5 0 73 273.336 3
Hi High (pH 8-9.5) -0.18 3.61 -11.57 3 5 0 73 273.336 3
Mid Mid (pH 6-8) -0.18 4.05 -32.68 4 5 1 74 274.344 3
Mid Mid (pH 6-8) -0.18 4.49 -119.43 5 5 2 76 275.352 3

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% )

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