UCSF

ZINC37039576

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 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) -0.18 1.31 -82.51 4 4 2 39 230.4 7
Hi High (pH 8-9.5) -0.18 -0.85 -42.5 3 4 1 37 229.392 7
Lo Low (pH 4.5-6) -0.18 3.56 -174.6 5 4 3 40 231.408 7
Lo Low (pH 4.5-6) -0.18 3.58 -175.37 5 4 3 40 231.408 7

Activity (Go SEA)

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