UCSF

ZINC05563912

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 27 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) 3.32 8.77 -13.03 2 6 0 83 384.505 4
Lo Low (pH 4.5-6) 3.32 7.8 -16.89 2 6 0 83 384.505 5

Activity (Go SEA)

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