UCSF

ZINC13124065

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 23 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) 3.85 8.27 -56.28 0 6 -1 88 327.341 3
Ref Reference (pH 7) 3.85 8.7 -54.59 0 6 -1 88 327.341 3

Activity (Go SEA)

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