UCSF

ZINC27096560

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2009 41 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) 7.22 17.88 -90.3 2 6 2 54 572.771 12
Hi High (pH 8-9.5) 7.22 15.31 -43.56 1 6 1 52 571.763 12
Hi High (pH 8-9.5) 7.22 15.32 -45.89 1 6 1 52 571.763 12
Hi High (pH 8-9.5) 7.22 12.75 -11.56 0 6 0 51 570.755 12

Activity (Go SEA)

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