UCSF

ZINC43976913

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 18 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) 3.55 7.24 -100.28 3 3 2 30 260.466 10
Mid Mid (pH 6-8) 3.55 6.09 -28.25 2 3 1 26 259.458 10

Activity (Go SEA)

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