UCSF

ZINC25922920

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.34 6.93 -42.27 2 4 1 37 324.876 6
Mid Mid (pH 6-8) 2.34 6.93 -45.22 2 4 1 37 324.876 6
Mid Mid (pH 6-8) 2.34 4.66 -8.62 1 4 0 36 323.868 6

Activity (Go SEA)

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