UCSF

ZINC39302166

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 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) 0.71 5.63 -29.68 1 9 0 115 459.524 6
Mid Mid (pH 6-8) 0.71 6.1 -70.33 0 9 -1 117 458.516 6

Activity (Go SEA)

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