UCSF

ZINC20058554

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 28 No

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) 4.27 9.66 -42.91 1 6 1 57 380.468 5
Mid Mid (pH 6-8) 4.27 7.21 -13.45 0 6 0 56 379.46 5

Activity (Go SEA)

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