UCSF

ZINC48622708

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 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 5.76 -14.86 1 4 0 59 271.345 2
Hi High (pH 8-9.5) 3.02 4.2 -54.19 0 4 -1 62 270.337 2

Activity (Go SEA)

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