UCSF

ZINC37874306

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 21 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) 1.99 5.46 -117.35 4 4 2 51 296.455 9
Mid Mid (pH 6-8) 1.99 4.05 -33.41 3 4 1 46 295.447 9

Activity (Go SEA)

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