UCSF

ZINC33768377

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 37 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) 5.58 14.41 -17.35 0 6 0 54 505.647 5
Lo Low (pH 4.5-6) 5.58 15.34 -37.7 1 6 1 56 506.655 5

Activity (Go SEA)

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