UCSF

ZINC55332793

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2010 18 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) 3.71 8.21 -26.65 3 3 1 45 244.362 3
Mid Mid (pH 6-8) 3.71 7.77 -6.14 2 3 0 44 243.354 3

Activity (Go SEA)

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