UCSF

ZINC20890066

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 26 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) 3.76 8.45 -53.72 3 5 1 49 353.49 6
Mid Mid (pH 6-8) 3.76 6.13 -13.91 2 5 0 48 352.482 6

Activity (Go SEA)

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