UCSF

ZINC39963959

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 28 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) 2.80 11.22 -16.51 1 7 0 76 398.85 6
Mid Mid (pH 6-8) 2.80 11.69 -34.48 2 7 1 78 399.858 6

Activity (Go SEA)

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