UCSF

ZINC30107780

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2009 32 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) 2.47 8.48 -20.9 0 8 0 77 439.512 8
Mid Mid (pH 6-8) 2.47 10.8 -54.76 1 8 1 78 440.52 8

Activity (Go SEA)

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