UCSF

ZINC17378781

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2008 36 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) 5.51 16.02 -60.75 1 5 1 57 486.632 11
Mid Mid (pH 6-8) 5.51 13.92 -16.33 0 5 0 56 485.624 11

Activity (Go SEA)

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