UCSF

ZINC59585627

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 38 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) 2.23 7.46 -95.99 6 11 0 173 541.734 20
Mid Mid (pH 6-8) 2.23 6.46 -62.54 5 11 -1 169 540.726 20

Activity (Go SEA)

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