UCSF

ZINC20363061

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 19 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) 3.45 4.54 -12.02 2 3 0 49 283.661 2
Mid Mid (pH 6-8) 3.45 5.21 -44.71 1 3 -1 52 282.653 2

Activity (Go SEA)

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