UCSF

ZINC00232008

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 24 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) 5.56 2.48 -6.47 0 4 0 36 322.36 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0023459A1; US4339602; US5118495; US5435994; US5456905; WO1993018733A1 IBM Patent Data

Activity (Go SEA)

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