UCSF

ZINC36923052

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 14 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) -0.45 0.56 -41.38 4 4 1 63 200.306 6
Mid Mid (pH 6-8) -0.45 2.36 -117.77 5 4 2 64 201.314 6
Mid Mid (pH 6-8) -0.45 1.1 -34.96 4 4 1 60 200.306 6

Activity (Go SEA)

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