UCSF

ZINC42464595

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 1.64 8.43 -34.55 1 4 0 54 249.31 5
Hi High (pH 8-9.5) 1.64 6.74 -50.68 0 4 -1 53 248.302 5

Activity (Go SEA)

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