UCSF

ZINC31976780

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 33 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) 6.32 13.33 -9.55 2 5 0 60 444.575 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0212450A1; US4692266 IBM Patent Data

Activity (Go SEA)

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