UCSF

ZINC04930971

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 23 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) 3.30 7.69 -9.57 1 5 0 56 329.425 5
Mid Mid (pH 6-8) 3.37 5.8 -8.72 1 5 0 59 329.425 5

Activity (Go SEA)

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