UCSF

ZINC21812294

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 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) 3.25 3.98 -12.19 3 4 0 72 310.806 4
Mid Mid (pH 6-8) 3.25 4.04 -45.82 2 4 -1 74 309.798 4

Activity (Go SEA)

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