UCSF

ZINC43441551

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) -0.62 3.94 -34.66 4 6 0 109 265.313 5
Mid Mid (pH 6-8) -0.62 3.61 -52.91 3 6 -1 108 264.305 5

Activity (Go SEA)

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