UCSF

ZINC00331254

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 No

Other Names:

MFCD00234641

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) 1.49 4.46 -8.58 3 4 0 64 186.218 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0704215A2; EP0704215A3; US5604210 IBM Patent Data

Activity (Go SEA)

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