UCSF

ZINC39975041

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 22 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) 3.31 7.43 -44.93 1 4 1 42 347.863 3
Mid Mid (pH 6-8) 3.31 5.09 -7.32 0 4 0 41 346.855 3

Activity (Go SEA)

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