UCSF

ZINC37818165

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 0.06 0.72 -47.2 4 6 1 86 260.358 9
Mid Mid (pH 6-8) 0.06 0.43 -12.83 3 6 0 85 259.35 9

Activity (Go SEA)

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