UCSF

ZINC40899530

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) 3.29 6.77 -9.79 0 5 0 54 387.549 5
Mid Mid (pH 6-8) 3.29 9.02 -50.81 1 5 1 55 388.557 5

Activity (Go SEA)

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