UCSF

ZINC31374976

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2009 32 No

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) 0.41 11.95 -41.76 0 5 0 66 486.684 7
Mid Mid (pH 6-8) 0.41 12.37 -42.31 0 5 0 66 486.684 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0515894A1 IBM Patent Data

Activity (Go SEA)

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