UCSF

ZINC16689453

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 31 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) 3.83 5.4 -22.73 1 8 0 110 466.581 7
Hi High (pH 8-9.5) 3.83 5.46 -64.23 0 8 -1 112 465.573 7

Activity (Go SEA)

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