UCSF

ZINC17014938

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 26 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) 3.61 10.6 -59.05 0 4 -1 60 350.369 5
Mid Mid (pH 6-8) 4.06 8.32 -28.66 1 4 0 58 351.377 4

Activity (Go SEA)

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