UCSF

ZINC20375346

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 26 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) 1.57 5.55 -46.29 3 7 1 79 354.434 5
Mid Mid (pH 6-8) 1.57 3.08 -13.39 2 7 0 78 353.426 5

Activity (Go SEA)

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