UCSF

ZINC19833231

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 20 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) -0.01 3.82 -50.68 4 6 1 93 277.348 6
Hi High (pH 8-9.5) -0.01 1.57 -14.08 3 6 0 91 276.34 6

Activity (Go SEA)

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