UCSF

ZINC37002805

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 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) 1.32 5.62 -10.83 1 4 0 45 217.272 3
Mid Mid (pH 6-8) 1.32 5.79 -29.67 2 4 1 46 218.28 3

Activity (Go SEA)

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