UCSF

ZINC39965043

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 34 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) 3.14 4.23 -20.06 1 9 0 107 508.666 8
Mid Mid (pH 6-8) 3.14 6.31 -61.87 2 9 1 108 509.674 8

Activity (Go SEA)

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