UCSF

ZINC34625781

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 29 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) 1.05 5.77 -17.99 3 9 0 128 399.334 3
Mid Mid (pH 6-8) 0.67 3.32 -49.38 2 9 -1 134 398.326 3

Activity (Go SEA)

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