UCSF

ZINC34660243

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) 3.48 9.83 -56.94 2 5 1 72 287.339 6
Hi High (pH 8-9.5) 3.48 8.39 -11.78 1 5 0 67 286.331 6

Activity (Go SEA)

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