UCSF

ZINC35793281

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 28 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) 2.55 1.22 -52.4 5 7 1 117 386.424 7
Hi High (pH 8-9.5) 2.55 -0.07 -13.41 4 7 0 112 385.416 7

Activity (Go SEA)

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