UCSF

ZINC39333845

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 30 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) 3.16 8.95 -50.4 1 7 1 60 418.51 8
Mid Mid (pH 6-8) 3.16 7.36 -12.13 0 7 0 59 417.502 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4701460 IBM Patent Data

Activity (Go SEA)

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