UCSF

ZINC22041193

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 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) 4.73 12.32 -41.25 1 4 1 26 446.036 4
Mid Mid (pH 6-8) 4.73 10.05 -5.62 0 4 0 25 445.028 4
Mid Mid (pH 6-8) 4.73 11.48 -38.55 1 4 1 26 446.036 4

Activity (Go SEA)

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