UCSF

ZINC71928708

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2012 30 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) 2.59 8.03 -41.21 2 8 1 89 411.482 6
Hi High (pH 8-9.5) 2.59 5.81 -28.38 1 8 0 88 410.474 6

Activity (Go SEA)

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