UCSF

ZINC57371938

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2011 19 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) 0.32 1.83 -36.73 2 5 1 46 273.397 7
Hi High (pH 8-9.5) 0.32 -0.44 -7.88 1 5 0 45 272.389 7

Activity (Go SEA)

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