UCSF

ZINC61415474

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 16 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) 1.96 2.61 -11.5 2 4 0 65 211.224 1
Lo Low (pH 4.5-6) 1.96 2.45 -32.61 3 4 1 66 212.232 1

Activity (Go SEA)

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

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