UCSF

ZINC43910028

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 18 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) 3.43 7.56 -36.92 2 2 1 20 249.422 8
Hi High (pH 8-9.5) 3.43 8.84 -33.4 2 2 1 16 249.422 8

Activity (Go SEA)

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