UCSF

ZINC40110658

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 36 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.04 5.77 -64.77 1 9 -1 127 515.608 12
Lo Low (pH 4.5-6) 3.04 5.01 -19.62 2 9 0 124 516.616 12

Activity (Go SEA)

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