UCSF

ZINC67172153

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2011 14 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) 1.52 3.32 -6.47 2 3 0 52 191.23 2
Lo Low (pH 4.5-6) 1.52 3.73 -42.42 3 3 1 54 192.238 2

Activity (Go SEA)

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

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