UCSF

ZINC37877413

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) 2.22 7.49 -104.46 4 3 2 41 296.43 7
Mid Mid (pH 6-8) 2.22 5.38 -40.71 3 3 1 40 295.422 7

Activity (Go SEA)

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