UCSF

ZINC19834271

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 14 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) 1.99 5.44 -105.01 5 3 2 56 199.342 5
Mid Mid (pH 6-8) -0.92 5.39 -29.54 5 3 1 56 198.334 5

Activity (Go SEA)

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