UCSF

ZINC15082037

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 21 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) 1.93 5.1 -14.7 3 5 0 77 299.355 3
Lo Low (pH 4.5-6) 1.93 5.33 -41.75 4 5 1 78 300.363 3

Activity (Go SEA)

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