UCSF

ZINC41082244

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 19 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) 1.66 6.91 -33.57 3 5 1 60 264.349 4
Mid Mid (pH 6-8) 1.66 4.67 -6.71 2 5 0 59 263.341 4

Activity (Go SEA)

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