UCSF

ZINC21877157

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 34 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) 0.62 3.5 -16.04 2 10 0 109 468.558 7
Mid Mid (pH 6-8) 0.62 5.84 -52.02 3 10 1 110 469.566 7

Activity (Go SEA)

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