UCSF

ZINC21808475

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) 4.39 7.3 -14.59 2 3 0 49 287.746 2
Mid Mid (pH 6-8) 4.39 8.33 -54.77 1 3 -1 52 286.738 2

Activity (Go SEA)

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