UCSF

ZINC16434941

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2008 26 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) 2.56 9.78 -46.21 1 5 1 43 375.514 6
Mid Mid (pH 6-8) 2.56 7.57 -13.83 0 5 0 42 374.506 6

Activity (Go SEA)

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