UCSF

ZINC39696917

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 30 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) -0.61 2.19 -59.2 3 9 1 96 419.55 4
Mid Mid (pH 6-8) -0.61 4.61 -112.29 4 9 2 98 420.558 4

Activity (Go SEA)

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