UCSF

ZINC19501984

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 25 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) 2.85 6.59 -8.15 1 6 0 76 364.829 5
Mid Mid (pH 6-8) 2.85 7.36 -57.46 2 6 1 80 365.837 5

Activity (Go SEA)

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