UCSF

ZINC39124027

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 13 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) 2.13 5.35 -12.36 1 2 0 33 214.051 0
Hi High (pH 8-9.5) 3.43 3.91 -33.96 0 2 -1 36 213.043 0

Activity (Go SEA)

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