UCSF

ZINC02384202

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 15 Yes

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) 2.92 6.16 -8.85 1 3 0 47 214.305 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0126986A1; US4525301 IBM Patent Data

Activity (Go SEA)

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