UCSF

ZINC12619920

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 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) 1.18 2.58 -49.75 1 8 -1 108 269.244 3
Lo Low (pH 4.5-6) 1.18 2.66 -15.96 2 8 0 110 270.252 3

Activity (Go SEA)

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

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