UCSF

ZINC43981884

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 19 Yes

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) 3.99 7.81 -99.34 3 3 2 30 274.493 12
Hi High (pH 8-9.5) 3.99 6.89 -26.22 2 3 1 26 273.485 12

Activity (Go SEA)

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