UCSF

ZINC15882084

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2008 32 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) 4.24 9.07 -45.51 1 9 -1 117 449.516 7
Hi High (pH 8-9.5) 3.33 9.39 -50.32 2 9 -1 115 449.516 6

Activity (Go SEA)

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