UCSF

ZINC29311394

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2009 23 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) -1.99 9.73 -47.15 0 6 1 66 318.397 5
Mid Mid (pH 6-8) -1.99 12.1 -137.76 1 6 2 67 319.405 5

Activity (Go SEA)

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