UCSF

ZINC05037485

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2006 22 No

CAS Number: 6874-98-2

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) 3.73 6.9 -8.28 1 3 0 36 292.382 1
Mid Mid (pH 6-8) 3.73 9.19 -46.38 2 3 1 37 293.39 1

Vendor Notes

Note Type Comments Provided By
UniProt Database Links PNAE_RAUSE ChEBI

Activity (Go SEA)

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