UCSF

ZINC20593508

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 17 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) 2.06 6.11 -86.39 3 3 2 24 241.423 5
Hi High (pH 8-9.5) 2.06 3.9 -37.87 2 3 1 23 240.415 5
Hi High (pH 8-9.5) 2.06 2.72 -1.24 1 3 0 19 239.407 5

Activity (Go SEA)

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