UCSF

ZINC35777242

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 14 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) 0.81 3.49 -44.19 0 4 -1 53 200.258 5
Mid Mid (pH 6-8) 0.81 5.68 -57.32 1 4 0 54 201.266 5

Activity (Go SEA)

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