UCSF

ZINC42470816

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 0.72 5.78 -39.07 2 4 1 46 241.355 7
Hi High (pH 8-9.5) 0.72 4.42 -6.82 1 4 0 42 240.347 7

Activity (Go SEA)

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