UCSF

ZINC04099108

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 11 Yes

CAS Numbers: 7764-50-3 , [7764-50-3]

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) 2.46 2.38 -4.65 0 1 0 17 152.237 1

Vendor Notes

Note Type Comments Provided By
UniProt Database Links MLHB_RHOER ChEBI
Patent Database Links WO2005014569 ChEBI

Activity (Go SEA)

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