UCSF

ZINC53230654

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2010 32 No

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) -4.53 -4.2 -377.39 5 19 -4 310 519.149 8
Mid Mid (pH 6-8) -4.53 -5.35 -240.33 6 19 -3 308 520.157 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3934369; WO1993004191A1 IBM Patent Data

Activity (Go SEA)

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