UCSF

ZINC35511807

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 27 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) 4.38 10.55 -11.72 2 5 0 67 364.493 5
Lo Low (pH 4.5-6) 4.38 10.92 -38.6 3 5 1 68 365.501 5

Activity (Go SEA)

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