UCSF

ZINC11535813

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2008 17 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) 2.62 -2.9 -10.58 1 3 0 42 249.697 1
Mid Mid (pH 6-8) 2.62 -2.79 -26.69 2 3 1 44 250.705 1

Activity (Go SEA)

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