UCSF

ZINC04848440

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2006 29 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) 4.70 11.07 -32.67 2 6 1 58 388.447 5
Mid Mid (pH 6-8) 4.70 10.69 -13.83 1 6 0 57 387.439 5

Activity (Go SEA)

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