UCSF

ZINC42551834

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 16 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) 3.40 8.44 -102.72 3 2 2 21 228.424 8
Hi High (pH 8-9.5) 3.40 7.07 -31.74 2 2 1 16 227.416 8

Activity (Go SEA)

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