UCSF

ZINC40520087

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 31 No

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) 4.90 12.34 -63.53 1 5 -1 86 426.577 5
Mid Mid (pH 6-8) 4.90 10.46 -13.37 2 5 0 83 427.585 5

Activity (Go SEA)

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