UCSF

ZINC22052091

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 27 No

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) 2.28 3.99 -25.5 4 7 0 99 510.442 13

Vendor Notes

Note Type Comments Provided By
Notes Sulphhydryl reactive -Spacer armRef: Suton,K.et al.(1984) J.Mol.Bio.178, 323-339 Apollo Scientific Bioactives

Activity (Go SEA)

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