UCSF

ZINC53659083

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 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) 2.56 9.15 -100.93 3 2 2 21 270.367 5
Hi High (pH 8-9.5) 2.56 6.87 -41.53 2 2 1 20 269.359 5

Activity (Go SEA)

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