UCSF

ZINC19735195

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 18 Yes

CAS Number: 436087-12-6

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) 0.46 3.58 -50.82 0 5 -1 64 251.306 2
Lo Low (pH 4.5-6) 0.46 4.84 -42.54 2 5 1 62 253.322 2

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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