UCSF

ZINC40949382

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 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) 2.62 6.77 -11.91 0 5 0 54 391.512 6
Mid Mid (pH 6-8) 2.62 9 -56.6 1 5 1 55 392.52 6

Activity (Go SEA)

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