UCSF

ZINC36996782

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 2.54 1.24 -40.82 4 4 1 60 277.388 3
Lo Low (pH 4.5-6) 2.54 3.48 -110.09 5 4 2 61 278.396 3

Activity (Go SEA)

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