UCSF

ZINC58545036

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 19 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) 2.73 6.67 -7.93 1 4 0 47 269.329 2
Lo Low (pH 4.5-6) 2.73 7.13 -31.33 2 4 1 48 270.337 2

Activity (Go SEA)

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

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