UCSF

ZINC59091010

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2011 39 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) 5.45 16.5 -69.18 1 11 0 157 538.601 15
Lo Low (pH 4.5-6) 5.45 15.75 -61.98 2 11 1 154 539.609 15

Activity (Go SEA)

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