UCSF

ZINC37083333

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 No

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) 2.08 6.11 -4.96 3 4 0 62 247.342 3
Lo Low (pH 4.5-6) 2.08 5.95 -24.74 4 4 1 63 248.35 3
Lo Low (pH 4.5-6) 2.08 5.13 -30.32 4 4 1 63 248.35 3
Lo Low (pH 4.5-6) 2.08 5.02 -30.64 4 4 1 63 248.35 3
Lo Low (pH 4.5-6) 2.08 5.16 -27.27 4 4 1 63 248.35 3

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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