UCSF

ZINC22123288

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 14 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) 1.48 4.91 -39.01 2 4 1 56 198.242 6
Mid Mid (pH 6-8) 1.48 3.69 -7.97 1 4 0 51 197.234 6

Activity (Go SEA)

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