UCSF

ZINC60647900

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2011 20 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) 4.29 8.2 -38.89 2 3 1 39 465.991 6
Mid Mid (pH 6-8) 4.29 6.79 -6.14 1 3 0 34 464.983 6

Activity (Go SEA)

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