UCSF

ZINC37331830

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 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) 2.62 8.25 -32.01 2 6 1 75 285.755 5
Hi High (pH 8-9.5) 2.62 6.1 -4.86 1 6 0 74 284.747 5

Activity (Go SEA)

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