UCSF

ZINC43425391

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 3.96 6.46 -6.41 0 3 0 36 290.451 2
Mid Mid (pH 6-8) 3.96 8.54 -41.78 1 3 1 37 291.459 2

Activity (Go SEA)

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