UCSF

ZINC22775472

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 22 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) 3.31 7.34 -44.42 2 4 1 44 367.263 7
Mid Mid (pH 6-8) 3.31 5.96 -7.75 1 4 0 40 366.255 7

Activity (Go SEA)

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