UCSF

ZINC19836343

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 16 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) 2.52 5.88 -42.63 2 2 1 20 239.408 6
Mid Mid (pH 6-8) 2.52 7.14 -36.62 2 2 1 16 239.408 6

Activity (Go SEA)

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