UCSF

ZINC25471341

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 25 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) 3.24 9.25 -18.09 1 5 0 66 353.447 5
Hi High (pH 8-9.5) 3.70 8.2 -53.67 0 5 -1 69 352.439 5

Activity (Go SEA)

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