UCSF

ZINC20244912

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 17 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) 0.04 2.4 -81.51 2 6 0 91 266.363 10
Mid Mid (pH 6-8) 0.04 2 -88.22 1 6 -1 93 265.355 10

Activity (Go SEA)

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