UCSF

ZINC20248881

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 32 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.99 13.66 -48.4 1 6 1 58 466.608 4
Mid Mid (pH 6-8) 3.99 11.2 -10.54 0 6 0 56 465.6 4

Activity (Go SEA)

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