UCSF

ZINC08317578

Substance Information

In ZINC since Heavy atoms Benign functionality
July 9th, 2006 24 Yes

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) 1.69 6.33 -50.77 3 6 1 77 399.309 7
Mid Mid (pH 6-8) 1.69 4.13 -18.99 2 6 0 76 398.301 7

Activity (Go SEA)

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