UCSF

ZINC39118745

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 10 No

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) 0.26 2.01 -31.4 3 3 1 34 142.226 2
Mid Mid (pH 6-8) 0.26 1.85 -100.08 4 3 2 35 143.234 2
Mid Mid (pH 6-8) 0.26 -0.44 -39.15 3 3 1 34 142.226 2
Mid Mid (pH 6-8) 0.26 -0.26 -2.09 2 3 0 32 141.218 2

Activity (Go SEA)

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