UCSF

ZINC24780961

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2009 33 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) 3.93 7.92 -20.92 2 8 0 107 489.619 10
Mid Mid (pH 6-8) 3.93 8 -45.66 1 8 -1 109 488.611 10

Activity (Go SEA)

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