UCSF

ZINC39050090

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 9 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) -0.06 2.13 -27.3 3 2 1 40 119.147 0
Mid Mid (pH 6-8) -0.06 1.69 -7.81 2 2 0 39 118.139 0

Activity (Go SEA)

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