UCSF

ZINC04808459

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2006 28 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) 5.34 12.94 -40.21 1 4 1 26 387.519 10
Mid Mid (pH 6-8) 5.34 10.74 -6.47 0 4 0 25 386.511 10

Activity (Go SEA)

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