UCSF

ZINC36128422

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 16 Yes

CAS Number: 1361114-17-1

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) 0.68 2.93 -89.63 5 3 2 52 222.332 3
Hi High (pH 8-9.5) 0.68 2.53 -34.79 4 3 1 51 221.324 3

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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