UCSF

ZINC05564324

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 30 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) 4.20 7.55 -49.41 4 6 0 92 400.506 5
Mid Mid (pH 6-8) 4.20 7.47 -8.33 3 6 0 91 399.498 5

Activity (Go SEA)

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