UCSF

ZINC39265461

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.26 10.9 -8.18 0 6 0 69 452.864 7
Mid Mid (pH 6-8) 4.26 13.14 -40.57 1 6 1 71 453.872 7

Activity (Go SEA)

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