UCSF

ZINC21959493

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 24 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 4.69 -63.47 3 6 -1 105 323.328 5
Hi High (pH 8-9.5) 0.36 5.49 -120.59 2 6 -2 108 322.32 5

Activity (Go SEA)

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