UCSF

ZINC19735665

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 14 Yes

CAS Number: 41717-77-5

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) -0.28 0.16 -34.29 3 4 1 46 203.306 5
Hi High (pH 8-9.5) -0.28 -2.12 -4.98 2 4 0 45 202.298 5
Mid Mid (pH 6-8) -0.28 -0.76 -39.67 3 4 1 49 203.306 5

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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