UCSF

ZINC16336694

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2008 27 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) 2.51 9.76 -41.92 2 7 1 80 396.895 8
Mid Mid (pH 6-8) 2.51 7.57 -14.05 1 7 0 79 395.887 8

Activity (Go SEA)

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