UCSF

ZINC13820219

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 27 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) 3.75 10.27 -46.06 1 4 1 42 383.537 2
Mid Mid (pH 6-8) 3.75 8.42 -9.43 0 4 0 41 382.529 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4886798 IBM Patent Data

Activity (Go SEA)

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