UCSF

ZINC19885653

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 10 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) 1.05 3.96 -40.26 2 3 1 43 146.21 6
Mid Mid (pH 6-8) 1.05 2.56 -4.94 1 3 0 38 145.202 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4405579 IBM Patent Data

Activity (Go SEA)

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