UCSF

ZINC19738003

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 16 Yes

CAS Number: 1038376-18-9

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) 3.30 7.75 -39.15 2 2 1 26 222.352 7
Hi High (pH 8-9.5) 3.30 6.28 -3.81 1 2 0 21 221.344 7

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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