UCSF

ZINC43073085

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 29 No

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) 3.54 6.63 -34.17 2 8 1 90 421.543 10
Hi High (pH 8-9.5) 3.54 5.48 -7 1 8 0 86 420.535 10

Activity (Go SEA)

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