UCSF

ZINC43255798

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) 3.32 9.43 -11.25 0 2 0 18 240.281 2
Lo Low (pH 4.5-6) 3.32 9.87 -32.58 1 2 1 19 241.289 2

Activity (Go SEA)

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