UCSF

ZINC05076282

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2006 30 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) 4.90 17.33 -13.77 0 7 0 66 407.518 8
Mid Mid (pH 6-8) 4.90 17.81 -37.63 1 7 1 67 408.526 8

Activity (Go SEA)

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