UCSF

ZINC13465355

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 25 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) 3.79 6.49 -52.09 1 5 -1 78 350.423 6
Mid Mid (pH 6-8) 3.33 7.59 -15.05 2 5 0 75 351.431 6

Activity (Go SEA)

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