UCSF

ZINC55668244

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 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) 3.13 10.16 -45.27 1 5 1 43 412.348 7
Mid Mid (pH 6-8) 3.13 7.97 -6.77 0 5 0 42 411.34 7

Activity (Go SEA)

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