UCSF

ZINC60222283

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 19 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) -0.22 6.89 -50.07 3 5 0 94 263.293 5
Hi High (pH 8-9.5) -0.22 6.64 -52.45 2 5 -1 92 262.285 5

Activity (Go SEA)

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