UCSF

ZINC22123173

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 13 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.98 6.54 -32.13 1 3 1 31 186.275 4
Mid Mid (pH 6-8) 1.98 4.58 -3.72 0 3 0 30 185.267 4

Activity (Go SEA)

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