UCSF

ZINC39702242

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2010 31 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) 1.26 9.45 -30.85 1 8 0 80 439.541 7
Mid Mid (pH 6-8) 1.26 10.39 -79.69 2 8 1 81 440.549 7

Activity (Go SEA)

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