UCSF

ZINC62824068

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 2.91 7.16 -45.28 1 5 -1 82 401.205 4
Lo Low (pH 4.5-6) 2.91 7.33 -49.62 2 5 0 83 402.213 4

Activity (Go SEA)

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

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