UCSF

ZINC42457864

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 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) 2.44 7.21 -103.29 3 2 2 21 200.37 6
Hi High (pH 8-9.5) 2.44 6.04 -31.63 2 2 1 16 199.362 6

Activity (Go SEA)

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