UCSF

ZINC35016811

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 2.30 7.24 -35.45 1 5 -1 66 337.396 6
Mid Mid (pH 6-8) 3.05 8.34 -11.45 2 5 0 60 338.404 7

Activity (Go SEA)

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