UCSF

ZINC31914484

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 20 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) 3.87 7.84 -13.48 1 3 0 38 266.344 3
Mid Mid (pH 6-8) 3.87 8.26 -26.56 2 3 1 39 267.352 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5064836 IBM Patent Data

Activity (Go SEA)

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