UCSF

ZINC42494063

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 No

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) 1.58 5.16 -33.99 1 3 1 27 249.787 7
Hi High (pH 8-9.5) 1.58 2.88 -5.62 0 3 0 25 248.779 7

Activity (Go SEA)

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