UCSF

ZINC11820278

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 26 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) 2.48 0.34 -15.92 0 6 0 60 350.422 5
Mid Mid (pH 6-8) 2.48 0.38 -35.22 1 6 1 61 351.43 5

Activity (Go SEA)

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