UCSF

ZINC32497018

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 16 Yes

CAS Numbers: 919032-97-6 , N/A

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) 1.54 4.61 -123.55 4 3 2 41 224.348 6
Mid Mid (pH 6-8) 1.54 4.17 -31.09 3 3 1 40 223.34 6
Mid Mid (pH 6-8) 1.54 3.3 -47.75 3 3 1 40 223.34 6

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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