UCSF

ZINC20265524

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 35 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) 3.60 8.94 -54.94 0 7 -1 82 481.544 10
Mid Mid (pH 6-8) 3.60 11.27 -73 1 7 0 83 482.552 10
Lo Low (pH 4.5-6) 3.60 10.44 -54.33 2 7 1 81 483.56 10

Activity (Go SEA)

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