UCSF

ZINC44689351

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 2.67 5.88 -40.49 4 4 1 55 269.372 3
Mid Mid (pH 6-8) 2.67 6.37 -78.98 5 4 2 57 270.38 3

Activity (Go SEA)

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