UCSF

ZINC55053376

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 21 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) 0.52 6.01 -35 3 6 0 97 294.351 8
Mid Mid (pH 6-8) 0.52 5.69 -52.34 2 6 -1 96 293.343 8

Activity (Go SEA)

Rings

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