UCSF

ZINC15020140

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 22 No

CAS Number: [N/A]

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) 0.61 -3.65 -10.35 5 7 0 115 374.187 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5491069; US5795728 IBM Patent Data
PUBCHEM_PATENT_ID WO1996040861A1 IBM Patent Data

Activity (Go SEA)

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