UCSF

ZINC52395764

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 12 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) -0.60 0.6 -38.5 3 5 1 72 175.208 5
Hi High (pH 8-9.5) -0.42 -1.71 -32.54 2 5 0 78 174.2 5
Hi High (pH 8-9.5) -0.60 -0.73 -6.4 2 5 0 67 174.2 5

Activity (Go SEA)

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