UCSF

ZINC01706342

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2005 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) 4.16 1.1 -6.85 0 1 0 12 233.314 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5296484 IBM Patent Data

Activity (Go SEA)

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