UCSF

ZINC65507238

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 26 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) 2.17 7.14 -23.42 2 7 0 85 351.41 4
Lo Low (pH 4.5-6) 2.17 7.64 -43.45 3 7 1 86 352.418 4

Activity (Go SEA)

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

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