UCSF

ZINC14709118

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2008 34 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) 2.18 -1.44 -16.85 5 9 0 146 466.442 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1997039355A1; WO1999021006A1 IBM Patent Data

Activity (Go SEA)

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