UCSF

ZINC20052111

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) 0.90 6.03 -36.71 2 4 1 37 244.403 10
Mid Mid (pH 6-8) 0.90 7.42 -103.65 3 4 2 41 245.411 10
Mid Mid (pH 6-8) 0.90 5.19 -41.51 2 4 1 40 244.403 10

Activity (Go SEA)

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