UCSF

ZINC22166060

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) 1.33 1.15 -6.15 2 3 0 41 196.637 1
Mid Mid (pH 6-8) 1.33 1.06 -6.11 2 3 0 41 196.637 1
Mid Mid (pH 6-8) 1.33 2.5 -39.82 3 3 1 46 197.645 1
Mid Mid (pH 6-8) 1.33 2.5 -39.8 3 3 1 46 197.645 1

Activity (Go SEA)

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