UCSF

ZINC00349067

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 Yes

Other Names:

MFCD03783585

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) 3.39 -2.37 -4.74 2 2 0 32 233.698 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0003814A2; US4241056; USRE31926 IBM Patent Data

Activity (Go SEA)

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