UCSF

ZINC39965009

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 28 Yes

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) 1.29 2.35 -18.56 3 8 0 109 404.492 6
Mid Mid (pH 6-8) 1.29 4.52 -57.23 4 8 1 110 405.5 6

Activity (Go SEA)

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