UCSF

ZINC43441576

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 20 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) -0.56 4.83 -61.18 3 6 -1 108 276.316 5
Mid Mid (pH 6-8) -0.56 5.13 -41.08 4 6 0 109 277.324 5

Activity (Go SEA)

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