UCSF

ZINC49525583

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 24 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) 4.72 11.98 -32.62 1 2 1 8 321.488 5
Mid Mid (pH 6-8) 4.72 9.79 -2.02 0 2 0 6 320.48 5
Mid Mid (pH 6-8) 4.72 11.06 -28.93 1 2 1 8 321.488 5

Activity (Go SEA)

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