UCSF

ZINC13809797

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 27 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) 3.27 5.61 -50.82 1 6 -1 91 423.246 2
Lo Low (pH 4.5-6) 2.82 8.28 -11.39 2 6 0 88 424.254 2

Activity (Go SEA)

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