UCSF

ZINC71389972

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2011 21 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) -0.35 1.83 -10.88 4 6 0 95 286.335 2
Lo Low (pH 4.5-6) -0.35 2.28 -27.44 5 6 1 96 287.343 2

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.