UCSF

ZINC44648844

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 20 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) 0.36 0.27 -54.77 5 6 1 95 280.348 8
Hi High (pH 8-9.5) 0.36 -1.08 -17.34 4 6 0 90 279.34 8

Activity (Go SEA)

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