UCSF

ZINC67172633

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 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) 2.69 3.69 -13.58 2 4 0 58 274.345 1
Hi High (pH 8-9.5) 2.69 3.02 -47.13 1 4 -1 60 273.337 1

Activity (Go SEA)

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