UCSF

ZINC13650523

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 31 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) -0.25 2.81 -93.83 6 9 0 148 435.431 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4851418 IBM Patent Data

Activity (Go SEA)

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