UCSF

ZINC20224384

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 19 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) 0.74 1.4 -65.96 3 6 0 102 281.337 4
Mid Mid (pH 6-8) 0.74 1.33 -56.36 4 6 1 100 282.345 4

Activity (Go SEA)

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