UCSF

ZINC36358461

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 24 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) 2.89 5.41 -10.37 2 5 0 71 339.782 2
Ref Reference (pH 7) 2.70 8.07 -10.84 2 5 0 67 339.782 2

Activity (Go SEA)

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