UCSF

ZINC13361597

Substance Information

In ZINC since Heavy atoms Benign functionality
June 17th, 2008 25 No

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) 2.38 8.83 -11.41 0 6 0 82 331.331 3
Lo Low (pH 4.5-6) 2.38 9.11 -48.92 1 6 1 83 332.339 3

Activity (Go SEA)

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