UCSF

ZINC34550650

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 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) 1.39 5.51 -102.75 4 4 2 51 278.396 5
Hi High (pH 8-9.5) 1.39 3.14 -45.42 3 4 1 49 277.388 5

Activity (Go SEA)

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