UCSF

ZINC39246824

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 13 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) -0.12 1.87 -17.12 2 5 0 79 183.163 3
Mid Mid (pH 6-8) 0.79 0.16 -41.92 1 5 -1 82 182.155 3
Mid Mid (pH 6-8) 0.79 -0.74 -9.29 2 5 0 80 183.163 3

Activity (Go SEA)

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