UCSF

ZINC39555189

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 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) 2.56 7.57 -14.88 1 8 0 83 454.6 8
Mid Mid (pH 6-8) 2.56 9.71 -52.42 2 8 1 85 455.608 8

Activity (Go SEA)

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