UCSF

ZINC40508691

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 25 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) 0.40 5.52 -44.02 2 7 1 76 347.439 5
Hi High (pH 8-9.5) 0.40 5.18 -13.89 1 7 0 75 346.431 5

Activity (Go SEA)

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