UCSF

ZINC35697996

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 20 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) 2.95 7.52 -14.54 1 4 0 47 324.814 2
Mid Mid (pH 6-8) 3.40 6.21 -41.54 0 4 -1 50 323.806 2

Activity (Go SEA)

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