UCSF

ZINC05728968

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 19 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) 0.19 5.92 -45.55 3 5 0 85 277.711 2
Mid Mid (pH 6-8) 0.19 6.35 -70.86 4 5 1 87 278.719 2

Activity (Go SEA)

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