UCSF

ZINC15084795

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 35 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) 4.86 14.51 -19.58 2 7 0 85 467.504 5
Lo Low (pH 4.5-6) 5.04 14.23 -47.12 3 7 1 89 468.512 5

Activity (Go SEA)

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