UCSF

ZINC00203440

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 14 Yes

CAS Number: 98996-66-8

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) -0.19 2.04 -54.13 1 5 -1 82 196.182 4

Vendor Notes

Note Type Comments Provided By
MP 178-179° Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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