UCSF

ZINC22168430

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 11 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) 0.70 4.31 -117.73 4 2 2 32 158.289 2
Mid Mid (pH 6-8) 0.70 2.42 -38.4 3 2 1 31 157.281 2
Mid Mid (pH 6-8) 0.70 4.01 -29.6 3 2 1 30 157.281 2

Activity (Go SEA)

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