UCSF

ZINC20209216

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 17 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) -1.77 3.75 -67.85 4 7 0 111 240.263 5
Mid Mid (pH 6-8) -1.77 3.18 -54.96 3 7 -1 110 239.255 5

Activity (Go SEA)

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