UCSF

ZINC39339873

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 16 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) -1.14 1.03 -31.51 4 5 0 97 241.268 2
Mid Mid (pH 6-8) -1.14 0.29 -41.54 3 5 -1 93 240.26 2

Activity (Go SEA)

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