UCSF

ZINC25513600

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 32 No

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) 2.64 8.73 -33.41 2 8 0 106 491.664 10
Hi High (pH 8-9.5) 2.64 8.36 -63.71 1 8 -1 108 490.656 10

Activity (Go SEA)

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