UCSF

ZINC16689450

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 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 5.83 -21.91 1 8 0 110 480.608 7
Hi High (pH 8-9.5) 4.24 5.89 -62.48 0 8 -1 112 479.6 7

Activity (Go SEA)

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