UCSF

ZINC34142936

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2009 22 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) 4.49 11.76 -39.24 1 2 1 8 293.434 2
Mid Mid (pH 6-8) 4.49 9.47 -3.73 0 2 0 6 292.426 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4025513; US4217452; US4254031 IBM Patent Data

Activity (Go SEA)

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