UCSF

ZINC04791042

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 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) 4.48 10.91 -15.01 1 6 0 65 387.439 5
Mid Mid (pH 6-8) 4.48 11.34 -30.4 2 6 1 66 388.447 5

Activity (Go SEA)

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