UCSF

ZINC21813211

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) 5.02 9.34 -54.36 3 1 1 28 276.35 5
Mid Mid (pH 6-8) 5.02 9 -3.77 2 1 0 26 275.342 5

Activity (Go SEA)

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