UCSF

ZINC19486623

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 16 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) 2.39 4.29 -45.66 4 3 1 57 286.193 4
Hi High (pH 8-9.5) 2.39 3.96 -7.41 3 3 0 55 285.185 4

Activity (Go SEA)

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