UCSF

ZINC22698501

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 21 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) -1.56 3.03 -59.7 3 7 1 82 295.363 5
Mid Mid (pH 6-8) -1.56 0.56 -28.27 2 7 0 81 294.355 5
Mid Mid (pH 6-8) -1.56 2.18 -61.04 3 7 1 82 295.363 5

Activity (Go SEA)

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