UCSF

ZINC37246871

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 13 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) 1.92 3.92 -37.19 2 2 1 20 185.335 5
Hi High (pH 8-9.5) 1.92 2.64 -0.42 1 2 0 15 184.327 5
Mid Mid (pH 6-8) 1.92 4.62 -30.42 2 2 1 16 185.335 5
Mid Mid (pH 6-8) 1.92 5.96 -103.45 3 2 2 21 186.343 5

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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