UCSF

ZINC20360901

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 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) -0.40 4.55 -47.89 2 4 1 57 196.274 5
Hi High (pH 8-9.5) -0.40 2.25 -11.28 1 4 0 56 195.266 5

Activity (Go SEA)

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