UCSF

ZINC37878326

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 20 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) 1.78 3.55 -38.58 3 4 1 49 281.42 9
Mid Mid (pH 6-8) 1.78 4.35 -33.57 3 4 1 46 281.42 9

Activity (Go SEA)

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