UCSF

ZINC58420254

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2011 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) 3.15 3.32 -48.8 0 5 -1 75 285.352 2
Lo Low (pH 4.5-6) 2.69 5.34 -11.34 1 5 0 72 286.36 2

Activity (Go SEA)

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

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