UCSF

ZINC55368938

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2010 25 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) 3.38 8.79 -12.32 0 4 0 43 337.419 7
Mid Mid (pH 6-8) 3.38 10.67 -34.31 1 4 1 44 338.427 7

Activity (Go SEA)

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