UCSF

ZINC39265518

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 36 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) 3.56 12.12 -20.97 1 8 0 82 480.572 6
Mid Mid (pH 6-8) 3.56 14.28 -56.76 2 8 1 83 481.58 6

Activity (Go SEA)

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