UCSF

ZINC21262370

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 29 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) 2.35 10.35 -41.67 1 7 1 55 398.531 6
Mid Mid (pH 6-8) 2.35 8.14 -11.25 0 7 0 54 397.523 6

Activity (Go SEA)

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