UCSF

ZINC37802073

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 0.55 1.14 -64.77 3 6 1 91 319.447 5
Mid Mid (pH 6-8) 0.55 0.84 -17.06 2 6 0 90 318.439 5

Activity (Go SEA)

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