UCSF

ZINC00519549

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 19 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) 1.93 5.29 -42.68 3 3 1 40 255.341 1
Hi High (pH 8-9.5) 1.93 3.07 -8.91 2 3 0 39 254.333 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3944582; US4057635; US4249001 IBM Patent Data

Activity (Go SEA)

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