UCSF

ZINC20017338

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) 1.87 1.33 -8.29 1 5 0 54 304.177 4
Mid Mid (pH 6-8) 1.87 3.68 -41.72 2 5 1 56 305.185 4

Activity (Go SEA)

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