UCSF

ZINC37860190

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) 1.74 5.61 -40.18 3 4 1 46 278.42 9
Mid Mid (pH 6-8) 1.74 4.82 -52.85 3 4 1 49 278.42 9

Activity (Go SEA)

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