UCSF

ZINC33676999

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 21 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) -2.06 8.97 -95.59 4 5 2 60 290.411 5
Hi High (pH 8-9.5) -2.06 6.76 -26.42 3 5 1 58 289.403 5

Activity (Go SEA)

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