UCSF

ZINC40148797

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 28 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) 0.06 13.53 -103.12 4 5 2 60 400.954 6
Hi High (pH 8-9.5) 0.06 11.32 -32.59 3 5 1 58 399.946 6

Activity (Go SEA)

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