UCSF

ZINC39854120

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 24 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) 3.19 5.48 -15.61 1 6 0 73 346.77 4
Ref Reference (pH 7) 3.19 6.18 -16.56 1 6 0 73 346.77 4
Hi High (pH 8-9.5) 3.19 7.31 -64.96 0 6 -1 76 345.762 4
Hi High (pH 8-9.5) 3.19 6.49 -58.88 0 6 -1 76 345.762 4

Activity (Go SEA)

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