UCSF

ZINC20360910

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 16 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.39 6.72 -47.49 1 4 1 49 224.328 4
Mid Mid (pH 6-8) 0.39 4.44 -10.82 0 4 0 47 223.32 4

Activity (Go SEA)

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