UCSF

ZINC04848436

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2006 27 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) 4.54 9.47 -13.01 2 5 0 59 359.429 5
Mid Mid (pH 6-8) 4.54 9.97 -28.99 3 5 1 60 360.437 5

Activity (Go SEA)

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