UCSF

ZINC39514886

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 29 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) 3.78 8.01 -21.29 1 7 0 92 432.571 8
Hi High (pH 8-9.5) 3.60 7 -51.1 0 7 -1 99 431.563 8

Activity (Go SEA)

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