UCSF

ZINC39276012

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 18 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) 3.53 6.62 -39.2 0 4 -1 62 329.557 3
Mid Mid (pH 6-8) 2.23 7.84 -15.09 1 4 0 59 330.565 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4448962 IBM Patent Data

Activity (Go SEA)

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