UCSF

ZINC35016967

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) 3.50 8.05 -12.69 2 5 0 60 358.822 6
Mid Mid (pH 6-8) 2.75 6.96 -34.31 1 5 -1 66 357.814 5

Activity (Go SEA)

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