UCSF

ZINC19735560

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 15 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) 0.16 -0.47 -39.4 3 4 1 49 217.333 5
Hi High (pH 8-9.5) 0.16 -1.82 -4.84 2 4 0 45 216.325 5

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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