UCSF

ZINC40429506

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 33 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) 3.36 5.3 -19.16 4 8 0 120 487.965 9
Lo Low (pH 4.5-6) 3.36 5.79 -52.28 5 8 1 121 488.973 9

Activity (Go SEA)

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