UCSF

ZINC41650046

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 29 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.73 8.01 -11.42 0 5 0 56 404.491 3
Mid Mid (pH 6-8) 3.73 8.75 -41.62 1 5 1 57 405.499 3

Activity (Go SEA)

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