UCSF

ZINC27270892

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 24 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) 2.74 6.86 -44.16 2 6 1 61 339.456 11
Hi High (pH 8-9.5) 2.74 4.63 -11.92 1 6 0 60 338.448 11

Activity (Go SEA)

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