UCSF

ZINC33594757

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 27 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) 1.28 8.18 -48.76 1 6 0 78 369.396 6
Hi High (pH 8-9.5) 1.28 5.66 -34.15 0 6 -1 77 368.388 6

Activity (Go SEA)

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