UCSF

ZINC37033811

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 2.55 2.25 -44.45 3 5 1 71 292.171 3
Hi High (pH 8-9.5) 2.55 0.82 -9.24 2 5 0 67 291.163 3
Hi High (pH 8-9.5) 2.37 -0.74 -37.2 1 5 -1 73 290.155 3
Hi High (pH 8-9.5) 2.37 0.71 -34.29 2 5 0 78 291.163 3

Activity (Go SEA)

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