UCSF

ZINC21788552

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 27 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) 1.93 7.22 -47.87 1 7 -1 90 385.469 4
Mid Mid (pH 6-8) 1.47 8.27 -13.79 2 7 0 87 386.477 4

Activity (Go SEA)

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